N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-7528 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 476.5 |
| Molecular Formula: | C21 H15 F3 N4 O2 S2 |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(CSC1NC(C=C(C(F)(F)F)N=1)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4239 |
| logD: | 1.206 |
| logSw: | -4.3076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.399 |
| InChI Key: | HEROXKZLVOQHOL-UHFFFAOYSA-N |