2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Chemical Structure Depiction of
2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Compound characteristics
| Compound ID: | C618-0921 |
| Compound Name: | 2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(NCCc1ccc(cc1)SC)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.3042 |
| logD: | 3.3042 |
| logSw: | -3.6697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.771 |
| InChI Key: | ZALLLUYKRSTFEF-UHFFFAOYSA-N |