N-(2-cyanoethyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}-N-phenylacetamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}-N-phenylacetamide
N-(2-cyanoethyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}-N-phenylacetamide
Compound characteristics
| Compound ID: | C696-1207 |
| Compound Name: | N-(2-cyanoethyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}-N-phenylacetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C25 H21 N5 O2 |
| Smiles: | C(CN(C(CN1C(c2ccccc2C(Cc2cccnc2)=N1)=O)=O)c1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.7876 |
| logD: | 1.7752 |
| logSw: | -2.0727 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.454 |
| InChI Key: | GQSCITIYVLGLSQ-UHFFFAOYSA-N |