N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0591 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C28 H26 N4 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.843 |
| logD: | 4.8294 |
| logSw: | -5.0103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.189 |
| InChI Key: | SCNVYTLNXZKEBZ-UHFFFAOYSA-N |