N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | G300-0840 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C25 H21 N3 O3 S |
| Smiles: | CSc1cccc(c1)NC(CN1C2=C(Cc3ccccc3O2)C(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7 |
| logD: | 4.7 |
| logSw: | -4.4911 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.476 |
| InChI Key: | JWEHDMQIPPZBFK-UHFFFAOYSA-N |