3-(3-chloro-4-methoxyphenyl)-N-(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-methoxyphenyl)-N-(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
3-(3-chloro-4-methoxyphenyl)-N-(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0563 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-N-(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 527.02 |
| Molecular Formula: | C26 H31 Cl N6 O4 |
| Smiles: | CN1CCN(CCCNC(CNC(C2c3ccccc3C(N(c3ccc(c(c3)[Cl])OC)N=2)=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.443 |
| logD: | 0.2384 |
| logSw: | -2.8862 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.864 |
| InChI Key: | FJPPQOWBUXNNJW-UHFFFAOYSA-N |