N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0126 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 622.12 |
| Molecular Formula: | C35 H32 Cl N5 O4 |
| Smiles: | Cc1ccc(cc1)N1C(c2ccc(cc2N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O)C(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6121 |
| logD: | 4.612 |
| logSw: | -4.6771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.721 |
| InChI Key: | HKXISDJMUIBLQO-UHFFFAOYSA-N |