7-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-sulfonyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
7-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-sulfonyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
7-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-sulfonyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | E977-0174 |
| Compound Name: | 7-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-sulfonyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C24 H31 N3 O6 S |
| Smiles: | COc1ccc(CN2CCN(CC2)S(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0252 |
| logD: | 1.925 |
| logSw: | -3.0335 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.706 |
| InChI Key: | TZXGZFRYXHLJMJ-UHFFFAOYSA-N |