5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(butan-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(butan-2-yl)-4H-1,2,4-triazole-3-thiol
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(butan-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8645 |
| Compound Name: | 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(butan-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 392.32 |
| Molecular Formula: | C17 H18 Br N3 O S |
| Smiles: | CCC(C)n1c(COc2ccc3cc(ccc3c2)[Br])nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4957 |
| logD: | 4.4069 |
| logSw: | -4.553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.85 |
| InChI Key: | LSNGJWLYDZSMBH-NSHDSACASA-N |