6-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 8018-5514 |
| Compound Name: | 6-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C21 H18 N2 O3 S |
| Smiles: | C1C=CCC(C1C(O)=O)C(Nc1ccc(cc1)c1nc2ccccc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1468 |
| logD: | 1.7909 |
| logSw: | -4.3027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.379 |
| InChI Key: | VMSDSBBNXNQGRD-UHFFFAOYSA-N |