3-(4-chlorophenyl)-2-{[(9H-purin-6-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-{[(9H-purin-6-yl)sulfanyl]methyl}quinazolin-4(3H)-one
3-(4-chlorophenyl)-2-{[(9H-purin-6-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8018-3949 |
| Compound Name: | 3-(4-chlorophenyl)-2-{[(9H-purin-6-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 420.88 |
| Molecular Formula: | C20 H13 Cl N6 O S |
| Smiles: | C(C1=Nc2ccccc2C(N1c1ccc(cc1)[Cl])=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.4194 |
| logD: | 2.403 |
| logSw: | -3.45 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.162 |
| InChI Key: | RHPGARKKVDFVEA-UHFFFAOYSA-N |