3-(3-chloro-4-methoxyphenyl)-N-(2-{[3-(4-methylpiperidin-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-methylpiperidin-1-yl)propyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
3-(3-chloro-4-methoxyphenyl)-N-(2-{[3-(4-methylpiperidin-1-yl)propyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0565 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-N-(2-{[3-(4-methylpiperidin-1-yl)propyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 526.04 |
| Molecular Formula: | C27 H32 Cl N5 O4 |
| Smiles: | CC1CCN(CCCNC(CNC(C2c3ccccc3C(N(c3ccc(c(c3)[Cl])OC)N=2)=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0272 |
| logD: | 0.5091 |
| logSw: | -3.5621 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.387 |
| InChI Key: | LJLWEKCNMPWHEP-UHFFFAOYSA-N |