N-(3-methylbutyl)-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-(3-methylbutyl)-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0611 |
| Compound Name: | N-(3-methylbutyl)-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C25 H30 N4 O |
| Smiles: | CC(C)CCNC(c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9563 |
| logD: | 4.9428 |
| logSw: | -4.7636 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.187 |
| InChI Key: | LOTZYMUOEDEGFF-UHFFFAOYSA-N |