2-{[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
2-{[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 4226-0774 |
| Compound Name: | 2-{[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | Cc1cc(ccc1OC)C(CSC1NC(c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9843 |
| logD: | 2.8905 |
| logSw: | -3.5659 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.378 |
| InChI Key: | COSUOSAAIVOTSP-UHFFFAOYSA-N |