5-bromo-N-[(5,7-dimethyl-6-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-[(5,7-dimethyl-6-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide
5-bromo-N-[(5,7-dimethyl-6-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | C908-0517 |
| Compound Name: | 5-bromo-N-[(5,7-dimethyl-6-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 543.44 |
| Molecular Formula: | C23 H23 Br N6 O3 S |
| Smiles: | Cc1c(CCC(Nc2cccc(c2)SC)=O)c(C)n2c(n1)nc(CNC(c1ccc(o1)[Br])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.1571 |
| logD: | 3.1555 |
| logSw: | -3.447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.584 |
| InChI Key: | QJKMBYTVUXBEQF-UHFFFAOYSA-N |