N-[2-(azepan-1-yl)-2-oxoethyl]-3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-oxoethyl]-3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-[2-(azepan-1-yl)-2-oxoethyl]-3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0104 |
| Compound Name: | N-[2-(azepan-1-yl)-2-oxoethyl]-3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C25 H28 N4 O5 |
| Smiles: | COc1ccc(c(c1)OC)N1C(c2ccccc2C(C(NCC(N2CCCCCC2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8228 |
| logD: | 2.8227 |
| logSw: | -3.6321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.058 |
| InChI Key: | LUFYTDBWKLVQNE-UHFFFAOYSA-N |