4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
Chemical Structure Depiction of
4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
Compound characteristics
| Compound ID: | V007-5937 |
| Compound Name: | 4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-2-phenylquinoline |
| Molecular Weight: | 501.45 |
| Molecular Formula: | C26 H21 Br N4 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.355 |
| logD: | 7.354 |
| logSw: | -6.2491 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.025 |
| InChI Key: | NXULNILEQAVYRV-UHFFFAOYSA-N |