3-methyl-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3-methyl-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
3-methyl-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | Y032-3562 |
| Compound Name: | 3-methyl-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Smiles: | CCCCCc1nnc(NC(c2cccc(C)c2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5815 |
| logD: | 0.9418 |
| logSw: | -4.5005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.149 |
| InChI Key: | RQIFFZLRHCYQCB-UHFFFAOYSA-N |