4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C274-3494 |
| Compound Name: | 4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 558.53 |
| Molecular Formula: | C21 H24 Br N3 O4 S3 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(C1CCC(CC1)CNS(c1ccc(s1)[Br])(=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.9333 |
| logD: | 5.9332 |
| logSw: | -5.4846 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.183 |
| InChI Key: | NVZNVWQYGOPTRX-UHFFFAOYSA-N |