N-{(1r,4S)-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
Chemical Structure Depiction of
N-{(1r,4S)-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
N-{(1r,4S)-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
Compound characteristics
| Compound ID: | Y044-0050 |
| Compound Name: | N-{(1r,4S)-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | C1C[C@H](CC[C@@H]1C(N[C@@H](Cc1ccccc1)C(O)=O)=O)CN1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.595 |
| logD: | -0.9956 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.124 |
| InChI Key: | SJQXXJXXLMEDFO-NGICGMGXSA-N |