(15Z)-15-ethylidene-13-methyl-19-oxa-3,13-diazatetracyclo[14.3.1.02,10.04,9]icosa-2(10),4,6,8-tetraene
PubChem CID: 5321582
Connections displayed (default: 10).
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| Topological Polar Surface Area | 28.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (15Z)-15-ethylidene-13-methyl-19-oxa-3,13-diazatetracyclo[14.3.1.02,10.04,9]icosa-2(10),4,6,8-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H26N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UDRPERFNEICWTJ-LZWSPWQCSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.244 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.332 |
| Compound Name | (15Z)-15-ethylidene-13-methyl-19-oxa-3,13-diazatetracyclo[14.3.1.02,10.04,9]icosa-2(10),4,6,8-tetraene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.205 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.868699417391305 |
| Inchi | InChI=1S/C20H26N2O/c1-3-14-13-22(2)10-8-17-16-6-4-5-7-18(16)21-20(17)19-12-15(14)9-11-23-19/h3-7,15,19,21H,8-13H2,1-2H3/b14-3+ |
| Smiles | C/C=C/1\CN(CCC2=C(C3CC1CCO3)NC4=CC=CC=C24)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aspidosperma Dasycarpon (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients