N-[3-(azepan-1-yl)propyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[3-(azepan-1-yl)propyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1334 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C21 H28 N4 O S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCCCN2CCCCCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7593 |
| logD: | 0.1886 |
| logSw: | -3.3876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.13 |
| InChI Key: | YVMCGIDIICLNQE-UHFFFAOYSA-N |