3-[5-(2,6-difluoroanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2,6-difluoroanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
3-[5-(2,6-difluoroanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0655 |
| Compound Name: | 3-[5-(2,6-difluoroanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 402.33 |
| Molecular Formula: | C17 H8 F2 N4 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nnc(Nc2c(cccc2F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1989 |
| logD: | 4.1989 |
| logSw: | -4.63 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.332 |
| InChI Key: | OFVLYFCIUOWGLG-UHFFFAOYSA-N |