N-{2-[benzyl(propan-2-yl)amino]ethyl}-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(propan-2-yl)amino]ethyl}-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{2-[benzyl(propan-2-yl)amino]ethyl}-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1106 |
| Compound Name: | N-{2-[benzyl(propan-2-yl)amino]ethyl}-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 455.02 |
| Molecular Formula: | C24 H27 Cl N4 O S |
| Smiles: | CC(C)N(CCNC(c1c2CSc3ccc(cc3c2n(C)n1)[Cl])=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3687 |
| logD: | 3.6411 |
| logSw: | -4.5567 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.414 |
| InChI Key: | HDQPGVCVLGJACT-UHFFFAOYSA-N |