4-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanamido}methyl)benzoic acid
Chemical Structure Depiction of
4-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanamido}methyl)benzoic acid
4-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | D751-0309 |
| Compound Name: | 4-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanamido}methyl)benzoic acid |
| Molecular Weight: | 508.58 |
| Molecular Formula: | C30 H28 N4 O4 |
| Smiles: | [H][C@@]12c3c(CCN2C(c2ccccc2N1C)=O)c1ccccc1n3CCC(NCc1ccc(cc1)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1009 |
| logD: | 1.1294 |
| logSw: | -4.0221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.364 |
| InChI Key: | WQQYKHHHTVCELX-MUUNZHRXSA-N |