N-[2-(4-ethoxyphenyl)ethyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)ethyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[2-(4-ethoxyphenyl)ethyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1552 |
| Compound Name: | N-[2-(4-ethoxyphenyl)ethyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCOc1ccc(CCNC(c2c3CS(c4ccccc4c3n(C)n2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2008 |
| logD: | 2.2008 |
| logSw: | -2.8054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.465 |
| InChI Key: | UDQBBGUYLJKPRI-UHFFFAOYSA-N |