N-benzyl-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-benzyl-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-benzyl-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1726 |
| Compound Name: | N-benzyl-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 335.43 |
| Molecular Formula: | C19 H17 N3 O S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCc2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9609 |
| logD: | 2.9609 |
| logSw: | -3.6741 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.975 |
| InChI Key: | UEZZMVROYAJGBF-UHFFFAOYSA-N |