methyl 2-[(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
methyl 2-[(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G541-0432 |
| Compound Name: | methyl 2-[(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(Nc2ccccc2C(=O)OC)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 3.8769 |
| logD: | 3.7536 |
| logSw: | -4.0341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.129 |
| InChI Key: | WGPZBMZKRSOOIO-UHFFFAOYSA-N |