ethyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
ethyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
ethyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | 4298-0447 |
| Compound Name: | ethyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 282.32 |
| Molecular Formula: | C11 H14 N4 O3 S |
| Smiles: | CCOC(c1ccc(CSc2nnc(C)n2N)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0095 |
| logD: | 1.0095 |
| logSw: | -2.0878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.783 |
| InChI Key: | PTZCQNYRANMGRK-UHFFFAOYSA-N |