N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1412 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(NCc2ccc3c(c2)OCO3)=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8114 |
| logD: | 1.8114 |
| logSw: | -2.8221 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.616 |
| InChI Key: | BMZSNVRCQCVYRY-UHFFFAOYSA-N |