N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-methoxybenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-methoxybenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-methoxybenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K938-0698 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-methoxybenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C23 H28 N2 O6 S |
| Smiles: | COc1ccc(cc1)S(NCC1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6518 |
| logD: | 3.6518 |
| logSw: | -3.9352 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.261 |
| InChI Key: | HBOCHSMUDDFVPP-UHFFFAOYSA-N |