3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5181 |
| Compound Name: | 3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C21 H22 F N3 S2 |
| Smiles: | CC1CCc2c(csc2C1)c1nnc(n1CC=C)SCc1ccccc1F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1518 |
| logD: | 6.1517 |
| logSw: | -5.8584 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1581 |
| InChI Key: | KEVIULKKBNTRIO-CQSZACIVSA-N |