1-methyl-N-[2-(4-methylphenyl)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-methylphenyl)ethyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-[2-(4-methylphenyl)ethyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1498 |
| Compound Name: | 1-methyl-N-[2-(4-methylphenyl)ethyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | Cc1ccc(CCNC(c2c3CS(c4ccccc4c3n(C)n2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2552 |
| logD: | 2.2552 |
| logSw: | -2.8877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.342 |
| InChI Key: | CGENZWLAQFOBHG-UHFFFAOYSA-N |