1-methyl-N-[2-(3-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-(3-methylphenyl)ethyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-[2-(3-methylphenyl)ethyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1465 |
| Compound Name: | 1-methyl-N-[2-(3-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: | Cc1cccc(CCNC(c2c3CS(c4ccccc4c3n(C)n2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4225 |
| logD: | 2.4225 |
| logSw: | -2.9503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.342 |
| InChI Key: | BTNCNCOLRWAVIY-UHFFFAOYSA-N |