N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-alanine
Chemical Structure Depiction of
N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-alanine
N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-alanine
Compound characteristics
| Compound ID: | Y040-8577 |
| Compound Name: | N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-alanine |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C19 H23 N3 O4 |
| Smiles: | C[C@@H](C(O)=O)NC([C@@H]1CC[C@H](CC1)CN1C=Nc2ccccc2C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.659 |
| logD: | -2.9897 |
| logSw: | -2.0921 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.787 |
| InChI Key: | AUQWGOHPGGKEDE-HSBZDZAISA-N |