3-chloro-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3-chloro-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
3-chloro-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | 1067-0127 |
| Compound Name: | 3-chloro-4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 396.89 |
| Molecular Formula: | C17 H21 Cl N4 O3 S |
| Smiles: | CCCCCCCCc1nnc(NC(c2ccc(c(c2)[Cl])[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.0983 |
| logD: | 4.3684 |
| logSw: | -6.1147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.45 |
| InChI Key: | PXVOJACDEMYEAU-UHFFFAOYSA-N |