N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0484 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C28 H31 F N4 O |
| Smiles: | C1CCC(CCNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccccc2F)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.4124 |
| logD: | 5.3988 |
| logSw: | -5.8735 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.806 |
| InChI Key: | QXWJHDHZLDNFMI-UHFFFAOYSA-N |