3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(1-ethylpiperidin-4-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(1-ethylpiperidin-4-yl)ethyl]propanamide
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(1-ethylpiperidin-4-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-0326 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(1-ethylpiperidin-4-yl)ethyl]propanamide |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C25 H37 N3 O3 |
| Smiles: | CCN1CCC(CCNC(CCc2ccc3c(CN(CCO3)C(C3CC3)=O)c2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.739 |
| logD: | 0.6787 |
| logSw: | -3.0395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.124 |
| InChI Key: | TXDGHGYGQUWUST-UHFFFAOYSA-N |