N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0040 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1c2cc(ccc2ccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9469 |
| logD: | 4.9333 |
| logSw: | -4.8509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.733 |
| InChI Key: | WBIGSNKUGWZVPV-UHFFFAOYSA-N |