methyl 4-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
methyl 4-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E146-1720 |
| Compound Name: | methyl 4-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(Nc2ccc(cc2)C(=O)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4604 |
| logD: | 3.4595 |
| logSw: | -3.9181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.826 |
| InChI Key: | HTCRMLYLHHBRMW-UHFFFAOYSA-N |