{4-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
{4-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | M400-0319 |
| Compound Name: | {4-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 372.41 |
| Molecular Formula: | C21 H22 F2 N2 O2 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)Cc2ccc(c(c2)F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2535 |
| logD: | 3.2277 |
| logSw: | -3.1794 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.9295 |
| InChI Key: | RKKVWVXRYJDIKQ-UHFFFAOYSA-N |