N-{3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanoyl}-L-phenylalanine
Chemical Structure Depiction of
N-{3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanoyl}-L-phenylalanine
N-{3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanoyl}-L-phenylalanine
Compound characteristics
| Compound ID: | D751-0316 |
| Compound Name: | N-{3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]propanoyl}-L-phenylalanine |
| Molecular Weight: | 522.6 |
| Molecular Formula: | C31 H30 N4 O4 |
| Smiles: | [H][C@@]12c3c(CCN2C(c2ccccc2N1C)=O)c1ccccc1n3CCC(N[C@@H](Cc1ccccc1)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1056 |
| logD: | -0.485 |
| logSw: | -3.4352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.994 |
| InChI Key: | FZKZPNLADYIFQF-PWUYWRBVSA-N |