2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C254-0018 |
| Compound Name: | 2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C15 H13 F3 N4 O2 S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCC(Nc1cccc(c1)C(F)(F)F)=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0705 |
| logD: | 3.0702 |
| logSw: | -3.4065 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.796 |
| InChI Key: | QWJLPSHJPZDWIK-UHFFFAOYSA-N |