methyl 3-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | 8019-0286 |
| Compound Name: | methyl 3-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 346.74 |
| Molecular Formula: | C17 H12 Cl F N2 O3 |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3[Cl])F)C=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2761 |
| logD: | 3.2761 |
| logSw: | -3.6133 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.513 |
| InChI Key: | JSMMWDQOQJSYFQ-UHFFFAOYSA-N |