{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | M400-0320 |
| Compound Name: | {4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C20 H24 N2 O2 S |
| Smiles: | Cc1ccsc1CN1CCOc2ccc(cc2C1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3147 |
| logD: | 3.2697 |
| logSw: | -3.3153 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.9478 |
| InChI Key: | MLGZRVJCVDCXLU-UHFFFAOYSA-N |