N-(2-methoxy-5-nitrophenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(2-methoxy-5-nitrophenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1488 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1594 |
| logD: | 2.9906 |
| logSw: | -3.7157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.967 |
| InChI Key: | QDQTUWRXKPKQDK-UHFFFAOYSA-N |