N-{3-[butyl(phenyl)amino]propyl}-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(phenyl)amino]propyl}-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{3-[butyl(phenyl)amino]propyl}-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1160 |
| Compound Name: | N-{3-[butyl(phenyl)amino]propyl}-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 469.05 |
| Molecular Formula: | C25 H29 Cl N4 O S |
| Smiles: | CCCCN(CCCNC(c1c2CSc3ccc(cc3c2n(C)n1)[Cl])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.44 |
| logD: | 5.4147 |
| logSw: | -5.7118 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.06 |
| InChI Key: | IQZVSJMIBHLKCZ-UHFFFAOYSA-N |