1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-ethylhexan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-ethylhexan-1-one
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-ethylhexan-1-one
Compound characteristics
| Compound ID: | D481-2016 |
| Compound Name: | 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-ethylhexan-1-one |
| Molecular Weight: | 320.82 |
| Molecular Formula: | C16 H21 Cl N4 O |
| Smiles: | CCCCC(CC)C(n1c(N)nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4417 |
| logD: | 4.4417 |
| logSw: | -4.6643 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.118 |
| InChI Key: | SCNITAYHZCMIJV-NSHDSACASA-N |