2-({[5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino}methylidene)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino}methylidene)cyclohexane-1,3-dione
2-({[5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino}methylidene)cyclohexane-1,3-dione
Compound characteristics
Compound ID: | C202-3826 |
Compound Name: | 2-({[5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino}methylidene)cyclohexane-1,3-dione |
Molecular Weight: | 443.5 |
Molecular Formula: | C25 H25 N5 O3 |
Smiles: | COc1ccc(cc1)C1C(C(c2ccccc2)n2c(N1)ncn2)NC=C1C(CCCC1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.1911 |
logD: | 3.19 |
logSw: | -3.5835 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.247 |
InChI Key: | RSSQKIFECVKXRP-UHFFFAOYSA-N |