4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
Chemical Structure Depiction of
4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
Compound characteristics
| Compound ID: | V011-5217 |
| Compound Name: | 4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline |
| Molecular Weight: | 513.06 |
| Molecular Formula: | C29 H25 Cl N4 O S |
| Salt: | not_available |
| Smiles: | C1CC(Cn2c(c3cc(c4ccccc4)nc4ccccc34)nnc2SCc2ccc(cc2)[Cl])OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7057 |
| logD: | 6.7047 |
| logSw: | -6.7015 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.683 |
| InChI Key: | PURDJFSPKYAVLM-HSZRJFAPSA-N |