(5-bromofuran-2-yl){3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone
Chemical Structure Depiction of
(5-bromofuran-2-yl){3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone
(5-bromofuran-2-yl){3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone
Compound characteristics
| Compound ID: | L886-0362 |
| Compound Name: | (5-bromofuran-2-yl){3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone |
| Molecular Weight: | 451.34 |
| Molecular Formula: | C17 H19 Br N6 O2 S |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(c2ccc(o2)[Br])=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 2.0119 |
| logD: | 1.9737 |
| logSw: | -2.3155 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.491 |
| InChI Key: | NNERCQUMXVUJJW-UHFFFAOYSA-N |