2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V030-9865 |
| Compound Name: | 2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C18 H21 F N4 O2 S |
| Smiles: | C=CCn1c(c2ccc(cc2)F)nnc1SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2071 |
| logD: | 2.2071 |
| logSw: | -2.4969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.345 |
| InChI Key: | MIDVKJPOJKFPNR-OAHLLOKOSA-N |