1-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
1-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
1-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0121 |
| Compound Name: | 1-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 533.03 |
| Molecular Formula: | C29 H29 Cl N4 O4 |
| Smiles: | CCC(C)NC(CN1C(N(C(c2ccc(cc12)C(NCc1ccccc1[Cl])=O)=O)c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0987 |
| logD: | 4.0987 |
| logSw: | -4.4537 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.253 |
| InChI Key: | BIMFZBOQYFYKHU-IBGZPJMESA-N |