2-{[(4-chlorophenyl)methyl]sulfanyl}-3-methylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-methylquinazolin-4(3H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-methylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y502-5256 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-methylquinazolin-4(3H)-one |
| Molecular Weight: | 316.81 |
| Molecular Formula: | C16 H13 Cl N2 O S |
| Smiles: | CN1C(=Nc2ccccc2C1=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1553 |
| logD: | 3.1553 |
| logSw: | -3.7481 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8082 |
| InChI Key: | ZJMYNCCTPDLDBX-UHFFFAOYSA-N |