2-{[(6-amino-9H-purin-8-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(6-amino-9H-purin-8-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
2-{[(6-amino-9H-purin-8-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 0723-2157 |
| Compound Name: | 2-{[(6-amino-9H-purin-8-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 469.45 |
| Molecular Formula: | C21 H14 F3 N7 O S |
| Smiles: | C(C1=Nc2ccccc2C(N1c1cccc(c1)C(F)(F)F)=O)Sc1nc2c(N)ncnc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.4052 |
| logD: | 2.0886 |
| logSw: | -3.1195 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.21 |
| InChI Key: | SRMJPIWUMJUYFY-UHFFFAOYSA-N |