N-[2-(azepan-1-yl)ethyl]-1-methyl-1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-methyl-1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-methyl-1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1357 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-methyl-1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | Cn1c2c3ccccc3OCc2c(C(NCCN2CCCCCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.157 |
| logD: | 0.8683 |
| logSw: | -2.8301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.579 |
| InChI Key: | VGOQRETXMLYDLJ-UHFFFAOYSA-N |