methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0132 |
| Compound Name: | methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 462.93 |
| Molecular Formula: | C22 H20 Cl F N2 O4 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1c1ccc(c(c1)[Cl])F)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5888 |
| logD: | 4.5888 |
| logSw: | -4.7476 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.852 |
| InChI Key: | ZUNKUFMTNKXSRJ-UHFFFAOYSA-N |