N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0925 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-chloro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C20 H16 Cl N3 O3 S |
| Smiles: | Cn1c2c3cc(ccc3SCc2c(C(NCc2ccc3c(c2)OCO3)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7328 |
| logD: | 3.7328 |
| logSw: | -4.2662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.09 |
| InChI Key: | CGLJLKLJJCQLHZ-UHFFFAOYSA-N |