1-[(2-chloro-4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
1-[(2-chloro-4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0055 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 517.94 |
| Molecular Formula: | C28 H21 Cl F N3 O4 |
| Smiles: | Cc1ccc(cc1)N1C(c2ccc(cc2N(Cc2ccc(cc2[Cl])F)C1=O)C(NCc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3359 |
| logD: | 5.3359 |
| logSw: | -5.8137 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.817 |
| InChI Key: | OOCLLNYQQDBJDG-UHFFFAOYSA-N |