3-[4-(3-cyanobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-[4-(3-cyanobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
3-[4-(3-cyanobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1059 |
| Compound Name: | 3-[4-(3-cyanobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)C(c2cccc(C#N)c2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7707 |
| logD: | 1.7707 |
| logSw: | -2.2037 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.36 |
| InChI Key: | CRVJWHPAERCJFP-UHFFFAOYSA-N |