N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | 8009-0239 |
| Compound Name: | N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 526.47 |
| Molecular Formula: | C24 H20 Br N3 O2 S2 |
| Smiles: | C(Cc1ccccc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3495 |
| logD: | 6.3494 |
| logSw: | -5.9294 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.076 |
| InChI Key: | RDDHVGPXORBYIG-UHFFFAOYSA-N |