N-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0391 |
| Compound Name: | N-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C24 H25 Cl N4 O4 |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(NCC(N2CCCCCC2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1469 |
| logD: | 3.1468 |
| logSw: | -3.5925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.815 |
| InChI Key: | CZKBFZPSHDZCMF-UHFFFAOYSA-N |