{4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
{4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | M400-0346 |
| Compound Name: | {4-[(1-methyl-1H-pyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C20 H25 N3 O2 |
| Smiles: | Cn1cccc1CN1CCOc2ccc(cc2C1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4241 |
| logD: | 2.3946 |
| logSw: | -2.7074 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.827 |
| InChI Key: | DBHVEWPNXWEAJS-UHFFFAOYSA-N |