N-{4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
Chemical Structure Depiction of
N-{4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
N-{4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-8575 |
| Compound Name: | N-{4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C19 H23 N3 O4 |
| Smiles: | C(CNC([C@H]1CC[C@@H](CC1)CN1C=Nc2ccccc2C1=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6492 |
| logD: | -2.0464 |
| logSw: | -2.1001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.441 |
| InChI Key: | GIJSWFPTKPCZDF-UHFFFAOYSA-N |