ethyl 2-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 2-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
ethyl 2-[(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E146-1495 |
| Compound Name: | ethyl 2-[(1-methyl-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: | CCOC(c1ccccc1NC(c1c2CSc3ccccc3c2n(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8361 |
| logD: | 3.7128 |
| logSw: | -3.9923 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.708 |
| InChI Key: | XHMFGSCUNCSFJT-UHFFFAOYSA-N |