3-(4-chlorophenyl)-4-({(1r,4r)-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}amino)butanoic acid
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-({(1r,4r)-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}amino)butanoic acid
3-(4-chlorophenyl)-4-({(1r,4r)-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}amino)butanoic acid
Compound characteristics
| Compound ID: | Y040-8654 |
| Compound Name: | 3-(4-chlorophenyl)-4-({(1r,4r)-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}amino)butanoic acid |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C26 H28 Cl N3 O5 |
| Smiles: | C(C(CNC([C@@H]1CC[C@H](CC1)CN1C(c2ccccc2NC1=O)=O)=O)c1ccc(cc1)[Cl])C(O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.0398 |
| logD: | 1.2769 |
| logSw: | -4.584 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.47 |
| InChI Key: | JRLZCKXEHAKEKI-KVZIAJEVSA-N |