6-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
Chemical Structure Depiction of
6-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
6-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | 8016-4793 |
| Compound Name: | 6-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C13 H6 N4 O3 S2 |
| Smiles: | c1ccc2c(c1)nc(o2)Sc1cc(c2c(c1)nsn2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4534 |
| logD: | 4.4534 |
| logSw: | -4.6572 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.663 |
| InChI Key: | BGVJMUDCJOGPRM-UHFFFAOYSA-N |