4-methyl-3-nitro-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
4-methyl-3-nitro-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-3369 |
| Compound Name: | 4-methyl-3-nitro-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Smiles: | CCC(CC)c1nnc(NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.367 |
| logD: | 2.4916 |
| logSw: | -4.3284 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.955 |
| InChI Key: | ZFDPDTYYTXVAAV-UHFFFAOYSA-N |