7-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}oxy)-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}oxy)-4-methyl-2H-1-benzopyran-2-one
7-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}oxy)-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8016-2258 |
| Compound Name: | 7-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}oxy)-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 396.33 |
| Molecular Formula: | C19 H13 F N4 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)Oc1nc(nn1Cc1ccccc1F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.418 |
| logD: | 3.418 |
| logSw: | -3.9142 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.788 |
| InChI Key: | XFHHZBANNMQVFV-UHFFFAOYSA-N |