3-[(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acetyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acetyl]-2H-1-benzopyran-2-one
3-[(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acetyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8017-4515 |
| Compound Name: | 3-[(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acetyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.12 |
| Molecular Formula: | C13 H7 Br N4 O5 |
| Smiles: | C(C(C1=Cc2ccccc2OC1=O)=O)n1c(nc(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.4896 |
| logD: | 1.4896 |
| logSw: | -2.1739 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.101 |
| InChI Key: | KNWGJQCLSMZBBT-UHFFFAOYSA-N |