2-fluoro-N-(2-{[2-(4-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
2-fluoro-N-(2-{[2-(4-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
2-fluoro-N-(2-{[2-(4-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8009-0412 |
| Compound Name: | 2-fluoro-N-(2-{[2-(4-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C22 H15 F N4 O4 S2 |
| Smiles: | C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)Sc1nc2ccc(cc2s1)NC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0482 |
| logD: | 5.043 |
| logSw: | -4.9272 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.67 |
| InChI Key: | MXEBNNQLWSFYIP-UHFFFAOYSA-N |