4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | 1067-0130 |
| Compound Name: | 4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C17 H22 N4 O3 S |
| Smiles: | CCCCCCCCc1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6591 |
| logD: | 4.775 |
| logSw: | -5.2328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.751 |
| InChI Key: | QMNAQCVZDBNMLN-UHFFFAOYSA-N |