ethyl 6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-0529 |
| Compound Name: | ethyl 6-{[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]methyl}-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 551.6 |
| Molecular Formula: | C31 H29 N5 O5 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(N(C)C=1COc1nc(c2ccccc2)c(c2ccccc2)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.316 |
| logD: | 4.3155 |
| logSw: | -4.2407 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.058 |
| InChI Key: | KACOLFDYYSNETE-AREMUKBSSA-N |