4-butoxy-N-(2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-butoxy-N-(2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-butoxy-N-(2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8007-3026 |
| Compound Name: | 4-butoxy-N-(2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 519.68 |
| Molecular Formula: | C28 H29 N3 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(CC)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5026 |
| logD: | 7.5023 |
| logSw: | -5.5125 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.707 |
| InChI Key: | ZMQWTSQDNRVOCT-UHFFFAOYSA-N |