6-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazine-1-carbonyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazine-1-carbonyl}cyclohex-3-ene-1-carboxylic acid
6-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazine-1-carbonyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7959 |
| Compound Name: | 6-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazine-1-carbonyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C21 H28 N2 O5 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCN(CC1)C(C1CC=CCC1C(O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8564 |
| logD: | 0.5005 |
| logSw: | -3.3325 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.006 |
| InChI Key: | BPZIQUHWZSXTFP-UHFFFAOYSA-N |