4-butyl-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-butyl-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]cyclohexane-1-carboxamide
4-butyl-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | F866-0011 |
| Compound Name: | 4-butyl-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 406.59 |
| Molecular Formula: | C22 H34 N2 O3 S |
| Smiles: | CCCCC1CCC(CC1)C(NCCS(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2801 |
| logD: | 4.2801 |
| logSw: | -4.0597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.224 |
| InChI Key: | UJCZSNZPNNTKBC-UHFFFAOYSA-N |