1-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1555 |
| Compound Name: | 1-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(NCCc2ccc(cc2)SC)=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5511 |
| logD: | 2.5511 |
| logSw: | -2.9538 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.342 |
| InChI Key: | UCLZUXCVCCPBOI-UHFFFAOYSA-N |