3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]propanamide
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-0343 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]propanamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C27 H33 N3 O3 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)C(NCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1554 |
| logD: | 2.719 |
| logSw: | -3.2139 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.04 |
| InChI Key: | LTGYCYNPABARSS-UHFFFAOYSA-N |