methyl 5-{[(1-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}naphthalen-2-yl)oxy]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(1-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}naphthalen-2-yl)oxy]methyl}furan-2-carboxylate
methyl 5-{[(1-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}naphthalen-2-yl)oxy]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y501-7039 |
| Compound Name: | methyl 5-{[(1-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}naphthalen-2-yl)oxy]methyl}furan-2-carboxylate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | Cc1nnc(n1/N=C/c1c(ccc2ccccc12)OCc1ccc(C(=O)OC)o1)S |
| Stereo: | ACHIRAL |
| logP: | 3.2643 |
| logD: | 2.5184 |
| logSw: | -3.4967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.185 |
| InChI Key: | VXGHFFXWIZOKJD-UHFFFAOYSA-N |