2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V018-5652 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccco2)nnc1SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2972 |
| logD: | 2.2972 |
| logSw: | -2.5856 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.417 |
| InChI Key: | XABHLPSYPIYDIP-MRXNPFEDSA-N |