ethyl 1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-5054 |
| Compound Name: | ethyl 1-methyl-6-{[4-(methylsulfanyl)phenoxy]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 504.6 |
| Molecular Formula: | C28 H28 N2 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(C)C=1COc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7968 |
| logD: | 5.7951 |
| logSw: | -5.5012 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.765 |
| InChI Key: | ABLMJZPVVHNFHG-AREMUKBSSA-N |