N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K938-0805 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(NCC1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0928 |
| logD: | 4.0928 |
| logSw: | -4.2011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.718 |
| InChI Key: | QOYCMGCBHTZDAI-UHFFFAOYSA-N |