3-[5-(2-fluoro-5-nitroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2-fluoro-5-nitroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
3-[5-(2-fluoro-5-nitroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0360 |
| Compound Name: | 3-[5-(2-fluoro-5-nitroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 414.37 |
| Molecular Formula: | C18 H11 F N4 O5 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nnc(Nc3cc(ccc3F)[N+]([O-])=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4628 |
| logD: | 4.4628 |
| logSw: | -4.5471 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.573 |
| InChI Key: | XUDBNBIFXYTQNF-UHFFFAOYSA-N |