methyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | 4298-0451 |
| Compound Name: | methyl 5-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 268.29 |
| Molecular Formula: | C10 H12 N4 O3 S |
| Smiles: | Cc1nnc(n1N)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 0.5775 |
| logD: | 0.5775 |
| logSw: | -1.7967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.203 |
| InChI Key: | NQIFHIVMCJEYSN-UHFFFAOYSA-N |