N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K412-0084 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 436.86 |
| Molecular Formula: | C15 H12 Cl F3 N4 O2 S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2522 |
| logD: | 3.224 |
| logSw: | -3.7412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.099 |
| InChI Key: | IWVIQYCMQTUAEG-UHFFFAOYSA-N |