N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C274-3556 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(5-bromothiophene-2-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 515.44 |
| Molecular Formula: | C20 H23 Br N2 O5 S2 |
| Smiles: | C1CC(CCC1CNS(c1ccc(s1)[Br])(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1431 |
| logD: | 4.1431 |
| logSw: | -4.3296 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.736 |
| InChI Key: | INJHZDGEOIHAEP-UHFFFAOYSA-N |