3-(2-ethylbutanamido)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]benzamide
Chemical Structure Depiction of
3-(2-ethylbutanamido)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]benzamide
3-(2-ethylbutanamido)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-3615 |
| Compound Name: | 3-(2-ethylbutanamido)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]benzamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C22 H22 N4 O6 S2 |
| Smiles: | CCC(CC)C(Nc1cccc(c1)C(Nc1ncc(s1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6717 |
| logD: | 4.5398 |
| logSw: | -4.3199 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.143 |
| InChI Key: | MSEXTNPCBRFHKU-UHFFFAOYSA-N |