N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | D336-2701 |
| Compound Name: | N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H20 F N3 O2 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6513 |
| logD: | 5.6461 |
| logSw: | -5.338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.591 |
| InChI Key: | UQJVBVFAFPRJPD-UHFFFAOYSA-N |