methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0291 |
| Compound Name: | methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C23 H26 N2 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CC1=C(C(c2ccccc2)NC(N1)=O)C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6847 |
| logD: | 3.259 |
| logSw: | -3.9564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.237 |
| InChI Key: | PWMFWFSNWHYYTE-HXUWFJFHSA-N |