3-fluoro-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
3-fluoro-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
3-fluoro-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-2040 |
| Compound Name: | 3-fluoro-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C23 H18 F N3 O2 S2 |
| Smiles: | Cc1cccc(c1)NC(CSc1nc2ccc(cc2s1)NC(c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6223 |
| logD: | 5.6175 |
| logSw: | -5.4119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | BKVWDEXLHJJCIN-UHFFFAOYSA-N |