3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5194 |
| Compound Name: | 3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C21 H23 N3 O S2 |
| Smiles: | COc1cccc(CSc2nnc(c3csc4CCCCc34)n2CC=C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4866 |
| logD: | 5.4865 |
| logSw: | -5.4958 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.702 |
| InChI Key: | HJPNNDXSINNMEZ-UHFFFAOYSA-N |