3-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
3-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-2284 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 450.9 |
| Molecular Formula: | C23 H15 Cl N2 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)N1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.252 |
| logD: | 4.2518 |
| logSw: | -4.6231 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.522 |
| InChI Key: | XCTHHPHYBBTNTF-UHFFFAOYSA-N |