N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-[5-(phenoxymethyl)furan-2-yl]methanimine
Chemical Structure Depiction of
N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-[5-(phenoxymethyl)furan-2-yl]methanimine
N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-[5-(phenoxymethyl)furan-2-yl]methanimine
Compound characteristics
| Compound ID: | Y500-7360 |
| Compound Name: | N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-[5-(phenoxymethyl)furan-2-yl]methanimine |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(COc2ccccc2)o1)SC |
| Stereo: | ACHIRAL |
| logP: | 2.8243 |
| logD: | 2.824 |
| logSw: | -2.9713 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.893 |
| InChI Key: | CEDOXXCTPHNKAA-UHFFFAOYSA-N |