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-alanine
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-alanine
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-alanine
Compound characteristics
| Compound ID: | D751-0311 |
| 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-alanine |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | [H][C@@]12c3c(CCN2C(c2ccccc2N1C)=O)c1ccccc1n3CCC(N[C@@H](C)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9641 |
| logD: | -1.6846 |
| logSw: | -2.6402 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.798 |
| InChI Key: | YRUHDDLONITHQQ-NPMXOYFQSA-N |