2-(3-nitrophenyl)-2-oxoethyl [(1,3-benzothiazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl [(1,3-benzothiazol-2-yl)sulfanyl]acetate
2-(3-nitrophenyl)-2-oxoethyl [(1,3-benzothiazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G856-0171 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl [(1,3-benzothiazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C17 H12 N2 O5 S2 |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)OC(CSc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2744 |
| logD: | 4.2744 |
| logSw: | -4.5129 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.211 |
| InChI Key: | HSIJOUGMQUDUSH-UHFFFAOYSA-N |