N-[3-(azepan-1-yl)butyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)butyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-[3-(azepan-1-yl)butyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0724 |
| Compound Name: | N-[3-(azepan-1-yl)butyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 485.67 |
| Molecular Formula: | C30 H39 N5 O |
| Smiles: | CC(CCNC(c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccccc1)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9423 |
| logD: | 2.0099 |
| logSw: | -4.7869 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.887 |
| InChI Key: | XMLLJHQEAGMAFH-DEOSSOPVSA-N |