N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | D262-0924 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2(1H)-yl)acetamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(C2CCCCC=2C(c2ccccc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5979 |
| logD: | 4.5979 |
| logSw: | -4.3485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.537 |
| InChI Key: | MDUYQPFZEWMIKD-UHFFFAOYSA-N |