dimethyl 5-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E146-1620 |
| Compound Name: | dimethyl 5-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8585 |
| logD: | 3.8583 |
| logSw: | -4.1528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80 |
| InChI Key: | BEQRUZCPPYAXHM-UHFFFAOYSA-N |