19-(1-Methoxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
PubChem CID: 5319508
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 58.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 19-(1-methoxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C21H19N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WAMOGKFNOWIIFK-UHFFFAOYSA-N |
| Fcsp3 | 0.238095238095238 |
| Logs | -4.916 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.15 |
| Compound Name | 19-(1-Methoxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 345.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 345.148 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 345.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.62046163076923 |
| Inchi | InChI=1S/C21H19N3O2/c1-12(26-2)16-10-22-11-17-15(16)9-19-20-14(7-8-24(19)21(17)25)13-5-3-4-6-18(13)23-20/h3-6,9-12,23H,7-8H2,1-2H3 |
| Smiles | CC(C1=C2C=C3C4=C(CCN3C(=O)C2=CN=C1)C5=CC=CC=C5N4)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Austrotaxus Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients