4-[4-(3-methoxypropyl)-5-{[(pentamethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[4-(3-methoxypropyl)-5-{[(pentamethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[4-(3-methoxypropyl)-5-{[(pentamethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
| Compound ID: | V005-6509 |
| Compound Name: | 4-[4-(3-methoxypropyl)-5-{[(pentamethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-phenylquinoline |
| Molecular Weight: | 536.74 |
| Molecular Formula: | C33 H36 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)c(C)c(CSc2nnc(c3cc(c4ccccc4)nc4ccccc34)n2CCCOC)c(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 9.0107 |
| logD: | 9.0098 |
| logSw: | -6.0046 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.621 |
| InChI Key: | XGQBBSARJHPTOJ-UHFFFAOYSA-N |