4-butoxy-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-butoxy-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-butoxy-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8008-8590 |
| Compound Name: | 4-butoxy-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 509.62 |
| Molecular Formula: | C26 H24 F N3 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.352 |
| logD: | 6.3517 |
| logSw: | -5.429 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.009 |
| InChI Key: | XXKFMRPXSZCJBZ-UHFFFAOYSA-N |