ethyl 3-[(8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
ethyl 3-[(8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G541-0949 |
| Compound Name: | ethyl 3-[(8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C21 H18 Cl N3 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(c1c2CSc3ccc(cc3c2n(C)n1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0104 |
| logD: | 5.0103 |
| logSw: | -4.9819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.406 |
| InChI Key: | MNYQMNBSTKKJBO-UHFFFAOYSA-N |