N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide
Compound characteristics
| Compound ID: | 8007-7453 |
| Compound Name: | N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide |
| Molecular Weight: | 570.53 |
| Molecular Formula: | C26 H24 Br N3 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4058 |
| logD: | 7.4055 |
| logSw: | -5.5187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.707 |
| InChI Key: | UUCVMWDVKAGXHS-UHFFFAOYSA-N |