3-(4-chlorophenyl)-6-methyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-6-methyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-chlorophenyl)-6-methyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | C200-6914 |
| Compound Name: | 3-(4-chlorophenyl)-6-methyl-2-sulfanylidene-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 499.98 |
| Molecular Formula: | C20 H13 Cl F3 N3 O S3 |
| Smiles: | CN1C(=NC2=C(C1=O)SC(N2c1ccc(cc1)[Cl])=S)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4841 |
| logD: | 5.4841 |
| logSw: | -6.0854 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 27.6032 |
| InChI Key: | MHHCSMVFKAHGMB-UHFFFAOYSA-N |