N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
N-(2,4-dimethylphenyl)-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: | K412-0039 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C16 H18 N4 O2 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=NN2CCCC(N=C2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5099 |
| logD: | 2.5099 |
| logSw: | -2.7638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.099 |
| InChI Key: | LDEINFXGQFISMK-UHFFFAOYSA-N |