N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrobenzamide
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8013-7262 |
| Compound Name: | N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrobenzamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C17 H13 N5 O3 S3 |
| Smiles: | Cc1c(C#N)c(NC(c2ccc(c(c2)[N+]([O-])=O)Sc2nnc(C)s2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.1724 |
| logD: | 0.5053 |
| logSw: | -4.4869 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.661 |
| InChI Key: | FKMZDMGSDNIEIV-UHFFFAOYSA-N |