4-[5-{[(2-bromophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[5-{[(2-bromophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[5-{[(2-bromophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
| Compound ID: | V008-6355 |
| Compound Name: | 4-[5-{[(2-bromophenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline |
| Molecular Weight: | 545.5 |
| Molecular Formula: | C28 H25 Br N4 O S |
| Smiles: | COCCCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.2345 |
| logD: | 7.2335 |
| logSw: | -6.009 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.621 |
| InChI Key: | XVCRNIZMGIWWKX-UHFFFAOYSA-N |