N-(2-{[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(2-{[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
N-(2-{[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | 8007-3098 |
| Compound Name: | N-(2-{[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C28 H27 N3 O2 S2 |
| Smiles: | CC(C(Nc1c(C)cc(C)cc1C)=O)Sc1nc2ccc(cc2s1)NC(/C=C/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0133 |
| logD: | 7.0133 |
| logSw: | -5.6243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.893 |
| InChI Key: | VCVZJMPVUCXNJC-FQEVSTJZSA-N |