8-chloro-N-{3-[cyclohexyl(methyl)amino]propyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-N-{3-[cyclohexyl(methyl)amino]propyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-N-{3-[cyclohexyl(methyl)amino]propyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1172 |
| Compound Name: | 8-chloro-N-{3-[cyclohexyl(methyl)amino]propyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 433.01 |
| Molecular Formula: | C22 H29 Cl N4 O S |
| Smiles: | CN(CCCNC(c1c2CSc3ccc(cc3c2n(C)n1)[Cl])=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8693 |
| logD: | 1.3446 |
| logSw: | -4.3266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.854 |
| InChI Key: | JSRXBXKQYCIEKM-UHFFFAOYSA-N |