1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0229 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 558.01 |
| Molecular Formula: | C31 H25 Cl F N3 O4 |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(cc2N(Cc2ccc(cc2[Cl])F)C1=O)C(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0778 |
| logD: | 5.0778 |
| logSw: | -5.3206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.454 |
| InChI Key: | AQSOPSDARZLUNP-UHFFFAOYSA-N |