3-{[(3-bromophenyl)methyl]sulfanyl}-5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole
3-{[(3-bromophenyl)methyl]sulfanyl}-5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole
Compound characteristics
Compound ID: | 8007-8626 |
Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole |
Molecular Weight: | 440.36 |
Molecular Formula: | C21 H18 Br N3 O S |
Smiles: | COCc1nnc(n1c1cccc2ccccc12)SCc1cccc(c1)[Br] |
Stereo: | ACHIRAL |
logP: | 5.0264 |
logD: | 5.0264 |
logSw: | -5.6881 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.812 |
InChI Key: | MSSQLCMFEHISRQ-UHFFFAOYSA-N |