6-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
6-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7958 |
| Compound Name: | 6-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C20 H26 N2 O5 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCN(CC1)C(C1CC=CCC1C(O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2783 |
| logD: | -0.0776 |
| logSw: | -2.5589 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.006 |
| InChI Key: | CULVBXDNGNCMOW-UHFFFAOYSA-N |