N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-valine
Chemical Structure Depiction of
N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-valine
N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-valine
Compound characteristics
| Compound ID: | Y040-8578 |
| Compound Name: | N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-valine |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC([C@H]1CC[C@@H](CC1)CN1C=Nc2ccccc2C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7257 |
| logD: | -2.8614 |
| logSw: | -2.1029 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.976 |
| InChI Key: | OCDUTZCDVUXCIC-JMLCCBQJSA-N |