4-[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(thiophen-2-yl)quinoline
Chemical Structure Depiction of
4-[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(thiophen-2-yl)quinoline
4-[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(thiophen-2-yl)quinoline
Compound characteristics
| Compound ID: | V003-4809 |
| Compound Name: | 4-[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(thiophen-2-yl)quinoline |
| Molecular Weight: | 549.55 |
| Molecular Formula: | C27 H25 Br N4 S2 |
| Salt: | not_available |
| Smiles: | CC(C)n1c(c2cc(c3cccs3)nc3cc(C)c(C)cc23)nnc1SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 8.5305 |
| logD: | 8.5304 |
| logSw: | -6.1573 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.394 |
| InChI Key: | WRHWJVLQOHJLNS-UHFFFAOYSA-N |