5,5-dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one
Chemical Structure Depiction of
5,5-dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one
5,5-dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 3393-0183 |
| Compound Name: | 5,5-dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one |
| Molecular Weight: | 362.49 |
| Molecular Formula: | C22 H22 N2 O S |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(cc1)NC1CC(C)(C)CC(C=1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.4377 |
| logD: | 5.436 |
| logSw: | -5.3365 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.715 |
| InChI Key: | NYBPKOGJQIZTJM-UHFFFAOYSA-N |