4-butoxy-N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-butoxy-N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-butoxy-N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8008-9652 |
| Compound Name: | 4-butoxy-N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 563.74 |
| Molecular Formula: | C30 H33 N3 O4 S2 |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)OCCCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0042 |
| logD: | 8.0039 |
| logSw: | -5.5589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.124 |
| InChI Key: | TYBJQGSKCFKWQY-UHFFFAOYSA-N |