4-({7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)benzonitrile
4-({7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | S629-2739 |
| Compound Name: | 4-({7-[3-(morpholin-4-yl)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)benzonitrile |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C24 H27 N3 O3 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)Cc2ccc(C#N)cc2)c1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3622 |
| logD: | 1.7115 |
| logSw: | -2.7012 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.001 |
| InChI Key: | RFVCSCYRHBODEF-UHFFFAOYSA-N |