N-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C075-0261 |
| Compound Name: | N-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C27 H33 N5 O4 |
| Smiles: | COc1ccc(cc1)N1C(c2ccccc2C(C(NCC(NCCCN2CCCCCC2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7348 |
| logD: | 0.1062 |
| logSw: | -3.4367 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.631 |
| InChI Key: | CAPDOIUJJURPQT-UHFFFAOYSA-N |