N-benzyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-benzyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0009 |
| Compound Name: | N-benzyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 452.56 |
| Molecular Formula: | C28 H28 N4 O2 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1c2cc(ccc2ccn1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0338 |
| logD: | 5.0202 |
| logSw: | -4.9406 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.618 |
| InChI Key: | KELCYPFQHDBLKI-UHFFFAOYSA-N |