N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(quinoline-8-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(quinoline-8-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(quinoline-8-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K906-3463 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(quinoline-8-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | C1CC(CCC1CNS(c1cccc2cccnc12)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2812 |
| logD: | 3.2807 |
| logSw: | -3.3552 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.251 |
| InChI Key: | HRDLQNFGPAKWTB-UHFFFAOYSA-N |