2-chloro-4-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
2-chloro-4-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
2-chloro-4-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-3673 |
| Compound Name: | 2-chloro-4-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 354.81 |
| Molecular Formula: | C14 H15 Cl N4 O3 S |
| Smiles: | CCCC(C)c1nnc(NC(c2ccc(cc2[Cl])[N+]([O-])=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4295 |
| logD: | 2.6796 |
| logSw: | -4.7622 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.256 |
| InChI Key: | CMJJWBHALYRACQ-QMMMGPOBSA-N |