N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(pyrrolidin-1-yl)methyl]azepane-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(pyrrolidin-1-yl)methyl]azepane-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(pyrrolidin-1-yl)methyl]azepane-1-carboxamide
Compound characteristics
| Compound ID: | S534-0252 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(pyrrolidin-1-yl)methyl]azepane-1-carboxamide |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C20 H29 N3 O3 |
| Smiles: | C1CCC(CN2CCCC2)N(CC1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.031 |
| logD: | -0.8787 |
| logSw: | -2.7218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.606 |
| InChI Key: | JPTBDJKQVALUAZ-QGZVFWFLSA-N |