3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(pyrrolidin-1-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-0270 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(pyrrolidin-1-yl)ethyl]propanamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C22 H31 N3 O3 |
| Smiles: | C1CCN(C1)CCNC(CCc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8417 |
| logD: | -0.314 |
| logSw: | -2.4358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.744 |
| InChI Key: | ZNYTZDSIJPDJID-UHFFFAOYSA-N |