methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C653-0315 |
| Compound Name: | methyl 6-[(4-tert-butylbenzene-1-sulfonyl)methyl]-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C23 H25 Cl N2 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CC1=C(C(c2ccc(cc2)[Cl])NC(N1)=O)C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2751 |
| logD: | 3.8494 |
| logSw: | -4.8545 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.237 |
| InChI Key: | OLEJUIBTQMYOGP-FQEVSTJZSA-N |