3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0196 |
| Compound Name: | 3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 617.71 |
| Molecular Formula: | C36 H35 N5 O5 |
| Smiles: | Cc1ccc(CNC(c2ccc3C(N(C(N(CC(N4CCN(CC4)c4ccccc4)=O)c3c2)=O)c2ccc(cc2)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8124 |
| logD: | 3.8124 |
| logSw: | -3.9701 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.265 |
| InChI Key: | JINNXKZIBQBVHS-UHFFFAOYSA-N |