ethyl 4-(2,5-diethoxyphenyl)-6-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-diethoxyphenyl)-6-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,5-diethoxyphenyl)-6-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-1437 |
| Compound Name: | ethyl 4-(2,5-diethoxyphenyl)-6-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C26 H30 N4 O5 S |
| Smiles: | CCOC(C1C(c2cc(ccc2OCC)OCC)NC(NC=1CSc1nc2cc(C)ccc2[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5652 |
| logD: | 4.3663 |
| logSw: | -4.453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.128 |
| InChI Key: | JNYDGMPKXHHFMY-HSZRJFAPSA-N |