(1R,4r)-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)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1R,4r)-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)cyclohexane-1-carboxylic acid
(1R,4r)-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)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | D751-0310 |
| Compound Name: | (1R,4r)-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)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C30 H34 N4 O4 |
| Smiles: | [H][C@@]12c3c(CCN2C(c2ccccc2N1C)=O)c1ccccc1n3CCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3406 |
| logD: | 0.7803 |
| logSw: | -3.5965 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.556 |
| InChI Key: | QMTQBSUFBVLOGX-KGBCOHSOSA-N |