N-(2-{[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(2-{[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
N-(2-{[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | 8007-1100 |
| Compound Name: | N-(2-{[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C28 H27 N3 O2 S2 |
| Smiles: | CCc1cccc(CC)c1NC(CSc1nc2ccc(cc2s1)NC(/C=C/c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8829 |
| logD: | 6.8829 |
| logSw: | -5.6249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.68 |
| InChI Key: | QTYOKABVEZRWCP-UHFFFAOYSA-N |