methyl 6-[(2,5-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(2,5-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(2,5-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C200-5138 |
| Compound Name: | methyl 6-[(2,5-dimethylbenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | Cc1ccc(C)c(c1)S(CC1=C(C(c2ccccc2)NC(N1)=O)C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9087 |
| logD: | 2.4829 |
| logSw: | -3.3453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.237 |
| InChI Key: | TWYQPDOJNFUEFX-LJQANCHMSA-N |