N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloro-5-nitrobenzamide
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2513-0701 |
| Compound Name: | N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloro-5-nitrobenzamide |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1csc(NC(c2cc(ccc2[Cl])[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.9049 |
| logD: | 6.836 |
| logSw: | -6.4562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.486 |
| InChI Key: | QEBUGDNQEQOKLV-UHFFFAOYSA-N |