1-[5-{[(4-chlorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-[5-{[(4-chlorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
1-[5-{[(4-chlorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | F019-3102 |
| Compound Name: | 1-[5-{[(4-chlorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 445.91 |
| Molecular Formula: | C24 H20 Cl N5 O2 |
| Smiles: | COc1ccc(/C=C/C(n2c(NCc3ccc(cc3)[Cl])nc(c3cccnc3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0302 |
| logD: | 3.8809 |
| logSw: | -4.8248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.761 |
| InChI Key: | QLMSPFCNZNNDQN-MDWZMJQESA-N |