N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | 8009-0238 |
| Compound Name: | N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide |
| Molecular Weight: | 524.46 |
| Molecular Formula: | C24 H18 Br N3 O2 S2 |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)Sc1nc2ccc(cc2s1)NC(/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.655 |
| logD: | 6.6549 |
| logSw: | -6.006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.076 |
| InChI Key: | JEJCYZFUCISURD-UHFFFAOYSA-N |