N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0503 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C30 H30 N4 O4 |
| Smiles: | COc1ccccc1N1C=C(C(NCC(N2CCN(CC2)Cc2ccccc2)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.2529 |
| logD: | 2.2374 |
| logSw: | -2.9121 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.43 |
| InChI Key: | IOZUBCJNZLWWFJ-UHFFFAOYSA-N |