8-chloro-N-{2-[ethyl(3-methylphenyl)amino]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-N-{2-[ethyl(3-methylphenyl)amino]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-N-{2-[ethyl(3-methylphenyl)amino]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1125 |
| Compound Name: | 8-chloro-N-{2-[ethyl(3-methylphenyl)amino]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 440.99 |
| Molecular Formula: | C23 H25 Cl N4 O S |
| Smiles: | CCN(CCNC(c1c2CSc3ccc(cc3c2n(C)n1)[Cl])=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6589 |
| logD: | 4.657 |
| logSw: | -4.6783 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.806 |
| InChI Key: | PWADRFYXSFJHHC-UHFFFAOYSA-N |