2-methyl-3-nitro-N-[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
2-methyl-3-nitro-N-[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
2-methyl-3-nitro-N-[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | K401-2424 |
| Compound Name: | 2-methyl-3-nitro-N-[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C15 H12 N6 O4 S3 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1nnc(SCC(Nc2nccs2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2942 |
| logD: | 2.5016 |
| logSw: | -3.9266 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.672 |
| InChI Key: | ISHBSNDYNQAGFS-UHFFFAOYSA-N |