N-butyl-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-butyl-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
N-butyl-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C696-0977 |
| Compound Name: | N-butyl-N-[(furan-2-yl)methyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | CCCCN(Cc1ccco1)C(CN1C(c2ccccc2C(Cc2ccncc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9339 |
| logD: | 2.9299 |
| logSw: | -3.2132 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.209 |
| InChI Key: | QSRGHWUGKDBGLJ-UHFFFAOYSA-N |