2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8006-7077 |
| Compound Name: | 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C15 H9 N3 O5 S2 |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1449 |
| logD: | 4.1449 |
| logSw: | -4.4099 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.058 |
| InChI Key: | BISHDPAZERGVGP-UHFFFAOYSA-N |