3-{[(4-bromophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-ol
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-ol
3-{[(4-bromophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-ol
Compound characteristics
| Compound ID: | 8012-7823 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-ol |
| Molecular Weight: | 312.18 |
| Molecular Formula: | C11 H10 Br N3 O S |
| Smiles: | Cc1c(nc(nn1)SCc1ccc(cc1)[Br])O |
| Stereo: | ACHIRAL |
| logP: | 2.2262 |
| logD: | 1.5815 |
| logSw: | -1.8873 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.924 |
| InChI Key: | KGMZJASQAIEBCM-UHFFFAOYSA-N |