2-(hydroxymethyl)-1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-3-(4-methoxy-9H-pyrido[3,4-b]indol-8-yl)propan-1-one
PubChem CID: 5320552
Connections displayed (default: 10).
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| Topological Polar Surface Area | 113.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 785.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-3-(4-methoxy-9H-pyrido[3,4-b]indol-8-yl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C28H24N4O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GDNABFKSOFYTMM-UHFFFAOYSA-N |
| Fcsp3 | 0.1785714285714285 |
| Logs | -5.529 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.293 |
| Compound Name | 2-(hydroxymethyl)-1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-3-(4-methoxy-9H-pyrido[3,4-b]indol-8-yl)propan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 480.18 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 480.18 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 480.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.354993244444446 |
| Inchi | InChI=1S/C28H24N4O4/c1-35-21-12-29-11-20-23(21)18-8-5-6-15(25(18)32-20)10-16(14-33)28(34)27-26-24(22(36-2)13-30-27)17-7-3-4-9-19(17)31-26/h3-9,11-13,16,31-33H,10,14H2,1-2H3 |
| Smiles | COC1=CN=C(C2=C1C3=CC=CC=C3N2)C(=O)C(CC4=C5C(=CC=C4)C6=C(C=NC=C6N5)OC)CO |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients