N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-oxo-7-(pyrrolidine-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-(pyrrolidine-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-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetamide
Compound characteristics
| Compound ID: | L707-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | C1CC(N(CC(NCc2ccc3c(c2)OCO3)=O)c2ccc(cc2C1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8214 |
| logD: | 2.8214 |
| logSw: | -3.5938 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.614 |
| InChI Key: | URVZBALQWMBKGN-UHFFFAOYSA-N |