3-methyl-2-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3-methyl-2-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
3-methyl-2-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-3272 |
| Compound Name: | 3-methyl-2-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(c2cccc(C)c2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4353 |
| logD: | -0.1838 |
| logSw: | -3.9268 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.654 |
| InChI Key: | VDGMSTATSAGKGK-UHFFFAOYSA-N |