N-{4-[4-(butan-2-yl)phenyl]-1,3-thiazol-2-yl}-3-chloro-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[4-(butan-2-yl)phenyl]-1,3-thiazol-2-yl}-3-chloro-4-nitrobenzamide
N-{4-[4-(butan-2-yl)phenyl]-1,3-thiazol-2-yl}-3-chloro-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y500-6075 |
| Compound Name: | N-{4-[4-(butan-2-yl)phenyl]-1,3-thiazol-2-yl}-3-chloro-4-nitrobenzamide |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Smiles: | CCC(C)c1ccc(cc1)c1csc(NC(c2ccc(c(c2)[Cl])[N+]([O-])=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9312 |
| logD: | 6.9239 |
| logSw: | -6.4882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.185 |
| InChI Key: | SZLJFFIUZZWCQN-LBPRGKRZSA-N |