7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
7-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | G017-1664 |
| Compound Name: | 7-[3-methyl-4-(3-methylphenyl)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: | CC1CN(CCN1c1cccc(C)c1)S(c1ccc2c(CCCC(N2)=O)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2467 |
| logD: | 3.2467 |
| logSw: | -3.5468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.58 |
| InChI Key: | QDLLMCPSUMEFKC-KRWDZBQOSA-N |