N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
Chemical Structure Depiction of
N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
Compound characteristics
| Compound ID: | Y040-8583 |
| Compound Name: | N-{(1r,4S)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | C1C[C@H](CC[C@@H]1C(N[C@@H](Cc1ccccc1)C(O)=O)=O)CN1C=Nc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7426 |
| logD: | -1.848 |
| logSw: | -2.4227 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.983 |
| InChI Key: | DWQIWIVOLGFWKS-AJTFCVKESA-N |