4-butoxy-N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-butoxy-N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-butoxy-N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
Compound ID: | 8009-3543 |
Compound Name: | 4-butoxy-N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
Molecular Weight: | 533.71 |
Molecular Formula: | C29 H31 N3 O3 S2 |
Smiles: | CCCCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1c(C)cc(C)cc1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 7.0852 |
logD: | 7.0849 |
logSw: | -5.5422 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.311 |
InChI Key: | ZGWOVUXVZBCLGL-UHFFFAOYSA-N |