2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8007-5632 |
| Compound Name: | 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C15 H11 N3 O3 S2 |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)Sc1nc2ccc(cc2s1)N |
| Stereo: | ACHIRAL |
| logP: | 3.313 |
| logD: | 3.313 |
| logSw: | -3.8079 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.483 |
| InChI Key: | YROJQYMLTKBPOT-UHFFFAOYSA-N |