methyl 6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4510 |
| Compound Name: | methyl 6-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | COC(C1C(c2ccc(cc2)OC)NC(NC=1CSc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5699 |
| logD: | 2.3708 |
| logSw: | -2.9201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.758 |
| InChI Key: | YSNOCLFYBFPYNG-GOSISDBHSA-N |