N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0082 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C29 H34 N4 O2 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1c2cc(ccc2ccn1)C(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3378 |
| logD: | 5.3242 |
| logSw: | -5.5213 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.651 |
| InChI Key: | WBEALWFKMYFJBZ-UHFFFAOYSA-N |