N-[5-({2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-({2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
N-[5-({2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K401-2402 |
| Compound Name: | N-[5-({2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C16 H15 N7 O4 S3 |
| Smiles: | CCc1nnc(NC(CSc2nnc(NC(c3cccc(c3C)[N+]([O-])=O)=O)s2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7197 |
| logD: | 2.927 |
| logSw: | -4.0546 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.234 |
| InChI Key: | FWSGNBFNBFAKIA-UHFFFAOYSA-N |