1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0195 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 558.01 |
| Molecular Formula: | C31 H25 Cl F N3 O4 |
| Smiles: | Cc1ccc(CNC(c2ccc3C(N(C(N(Cc4ccc(cc4[Cl])F)c3c2)=O)c2ccc(cc2)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5677 |
| logD: | 5.5677 |
| logSw: | -5.8705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.612 |
| InChI Key: | YYUVHJBNOIYSID-UHFFFAOYSA-N |