3-{[(2-methylphenyl)methyl]sulfanyl}-4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-methylphenyl)methyl]sulfanyl}-4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
3-{[(2-methylphenyl)methyl]sulfanyl}-4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8561 |
| Compound Name: | 3-{[(2-methylphenyl)methyl]sulfanyl}-4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 383.58 |
| Molecular Formula: | C21 H25 N3 S2 |
| Smiles: | CCCn1c(c2csc3CCCCc23)nnc1SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.477 |
| logD: | 6.4718 |
| logSw: | -5.8672 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1581 |
| InChI Key: | MCBVVMJHRWTMDB-UHFFFAOYSA-N |