N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-oxo-7-(piperidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-oxo-7-(piperidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-oxo-7-(piperidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetamide
Compound characteristics
| Compound ID: | L707-0468 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-oxo-7-(piperidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | C1CCN(CC1)S(c1ccc2c(CCCC(N2CC(NCc2ccc3c(c2)OCO3)=O)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1519 |
| logD: | 3.1519 |
| logSw: | -3.5604 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.248 |
| InChI Key: | QQTAGYYMVKWDIP-UHFFFAOYSA-N |