2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethan-1-one
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8014-7338 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethan-1-one |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C19 H11 Cl N2 O4 S2 |
| Smiles: | C(C(c1ccc(c2ccc(cc2[Cl])[N+]([O-])=O)o1)=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.0344 |
| logD: | 6.0344 |
| logSw: | -6.3132 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.076 |
| InChI Key: | YJWFRZCRVDEKOW-UHFFFAOYSA-N |