3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-ethyl-N-[(pyridin-4-yl)methyl]propanamide
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-ethyl-N-[(pyridin-4-yl)methyl]propanamide
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-ethyl-N-[(pyridin-4-yl)methyl]propanamide
Compound characteristics
| Compound ID: | S629-0227 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-ethyl-N-[(pyridin-4-yl)methyl]propanamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CCN(Cc1ccncc1)C(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3926 |
| logD: | 2.374 |
| logSw: | -2.3689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.191 |
| InChI Key: | KKTYCVKQLXEXCE-UHFFFAOYSA-N |