N-(cyclopropylmethyl)-3-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-3-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N-(cyclopropylmethyl)-3-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-2112 |
| Compound Name: | N-(cyclopropylmethyl)-3-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C22 H28 N2 O2 S |
| Smiles: | Cc1ccsc1CN1CCOc2ccc(CCC(NCC3CC3)=O)cc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.7959 |
| logD: | 3.0744 |
| logSw: | -3.8146 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.657 |
| InChI Key: | XFYJYSWMRBVONM-UHFFFAOYSA-N |