ethyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,5-diethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,5-diethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,5-diethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-1440 |
| Compound Name: | ethyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,5-diethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Smiles: | CCOC(C1C(c2cc(ccc2OCC)OCC)NC(NC=1CSc1nc2ccccc2o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9172 |
| logD: | 4.7187 |
| logSw: | -4.6334 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.778 |
| InChI Key: | ZZNISPPBOVYQST-JOCHJYFZSA-N |