3-{4-[3-(1H-indol-3-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-{4-[3-(1H-indol-3-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
3-{4-[3-(1H-indol-3-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1058 |
| Compound Name: | 3-{4-[3-(1H-indol-3-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C25 H29 N3 O3 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)C(CCc2c[nH]c3ccccc23)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9634 |
| logD: | 2.9634 |
| logSw: | -3.2632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.647 |
| InChI Key: | CJYOVQDOHVHEQB-UHFFFAOYSA-N |