3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0635 |
| Compound Name: | 3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.38 |
| Molecular Formula: | C18 H12 N4 O4 S |
| Smiles: | Cc1ccccc1Nc1nnc(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1773 |
| logD: | 4.1773 |
| logSw: | -4.4715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.03 |
| InChI Key: | FTTCJVJQRZWEDC-UHFFFAOYSA-N |