2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-5973 |
| Compound Name: | 2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 544.39 |
| Molecular Formula: | C23 H11 Cl2 N3 O5 S2 |
| Smiles: | C(C(c1ccc(cc1[Cl])[Cl])=O)Sc1nc2ccc(cc2s1)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1745 |
| logD: | 5.1745 |
| logSw: | -5.7759 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.017 |
| InChI Key: | FHTVBWNERVFDRY-UHFFFAOYSA-N |