{4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
{4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | M400-0309 |
| Compound Name: | {4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C23 H26 N2 O4 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)Cc2ccc3c(c2)OCCO3)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0387 |
| logD: | 1.3159 |
| logSw: | -2.5366 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.753 |
| InChI Key: | PYLZNSATSZQEAO-UHFFFAOYSA-N |