2-{[(9H-purin-6-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(9H-purin-6-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
2-{[(9H-purin-6-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8009-0033 |
| Compound Name: | 2-{[(9H-purin-6-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 454.43 |
| Molecular Formula: | C21 H13 F3 N6 O S |
| Smiles: | C(C1=Nc2ccccc2C(N1c1cccc(c1)C(F)(F)F)=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.6812 |
| logD: | 2.6109 |
| logSw: | -3.5599 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.162 |
| InChI Key: | MMKNCVXKTFUWKO-UHFFFAOYSA-N |