N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C197-0267 |
| Compound Name: | N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1891 |
| logD: | 1.1888 |
| logSw: | -2.3405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.191 |
| InChI Key: | ATNGVCADPFUHNZ-UHFFFAOYSA-N |