N-(5-methyl-1,3,4-thiadiazol-2-yl)-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-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
N-(5-methyl-1,3,4-thiadiazol-2-yl)-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: | K412-0049 |
| Compound Name: | N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C11 H12 N6 O2 S3 |
| Smiles: | Cc1nnc(NC(CSC2=NN3CCCC(N=C3S2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 0.8545 |
| logD: | 0.8112 |
| logSw: | -1.6577 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.148 |
| InChI Key: | WEPCMOYNEXOHLV-UHFFFAOYSA-N |