2-chloro-N-[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
2-chloro-N-[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | K401-2601 |
| Compound Name: | 2-chloro-N-[5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C14 H10 Cl N7 O4 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(NC(c3cc(ccc3[Cl])[N+]([O-])=O)=O)s2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1869 |
| logD: | 2.0376 |
| logSw: | -3.7662 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.846 |
| InChI Key: | QRRCIOYKCFDSQJ-UHFFFAOYSA-N |