3-(3-chloro-4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0548 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 532.99 |
| Molecular Formula: | C27 H25 Cl N6 O4 |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(NCC(N2CCN(CC2)c2ccccn2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9538 |
| logD: | 2.945 |
| logSw: | -3.4911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.256 |
| InChI Key: | WQHIHOVDDWJMJK-UHFFFAOYSA-N |