5-bromo-N-({6-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-({6-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)furan-2-carboxamide
5-bromo-N-({6-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | C908-0518 |
| Compound Name: | 5-bromo-N-({6-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)furan-2-carboxamide |
| Molecular Weight: | 557.4 |
| Molecular Formula: | C24 H25 Br N6 O5 |
| Smiles: | Cc1c(CCC(Nc2ccc(c(c2)OC)OC)=O)c(C)n2c(n1)nc(CNC(c1ccc(o1)[Br])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.2311 |
| logD: | 2.2295 |
| logSw: | -2.9606 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.844 |
| InChI Key: | RLCPPKYQFYWFGI-UHFFFAOYSA-N |