methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | 4298-0452 |
| Compound Name: | methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate |
| Molecular Weight: | 267.3 |
| Molecular Formula: | C11 H13 N3 O3 S |
| Smiles: | CCc1nnc([nH]1)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.6609 |
| logD: | 1.316 |
| logSw: | -2.3157 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.751 |
| InChI Key: | MRUVLQCYECBYFX-UHFFFAOYSA-N |