6-chloro-3-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
6-chloro-3-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1711-1497 |
| Compound Name: | 6-chloro-3-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 368.73 |
| Molecular Formula: | C17 H9 Cl N4 O4 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])c1nnc(c2ccc(cc2)[N+]([O-])=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.5217 |
| logD: | 3.0169 |
| logSw: | -4.1804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.055 |
| InChI Key: | IDSWSMAITGHEOD-UHFFFAOYSA-N |