4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxamide
4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C274-3631 |
| Compound Name: | 4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 515.44 |
| Molecular Formula: | C20 H23 Br N2 O5 S2 |
| Smiles: | C1CC(CCC1CNS(c1ccc(s1)[Br])(=O)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5137 |
| logD: | 3.5136 |
| logSw: | -3.6083 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.122 |
| InChI Key: | XAASLIWLBQAEAF-UHFFFAOYSA-N |