N-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-yl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-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: | K412-0040 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-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: | 378.43 |
| Molecular Formula: | C15 H14 N4 O4 S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCC(Nc1ccc3c(c1)OCO3)=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8604 |
| logD: | 1.8604 |
| logSw: | -2.5854 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.912 |
| InChI Key: | ZWQWIBSINIYAMF-UHFFFAOYSA-N |