4-[5-{[(naphthalen-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[5-{[(naphthalen-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[5-{[(naphthalen-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
Compound ID: | V011-6454 |
Compound Name: | 4-[5-{[(naphthalen-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline |
Molecular Weight: | 484.62 |
Molecular Formula: | C31 H24 N4 S |
Salt: | not_available |
Smiles: | C=CCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1cccc2ccccc12 |
Stereo: | ACHIRAL |
logP: | 8.0858 |
logD: | 8.0849 |
logSw: | -7.4271 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 32.007 |
InChI Key: | WYZQMINJMXCVOB-UHFFFAOYSA-N |