N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1314 |
| Compound Name: | N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCc2ccc(CN3CCCCCC3)o2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.885 |
| logD: | 1.8172 |
| logSw: | -3.92 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.05 |
| InChI Key: | HXRCOBBDXAPVJC-UHFFFAOYSA-N |