7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | E977-0079 |
| Compound Name: | 7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)S(c1ccc2c(CCCC(N2)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5199 |
| logD: | 3.5199 |
| logSw: | -3.9625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.061 |
| InChI Key: | VWVKLYRYHNKCLC-UHFFFAOYSA-N |