2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V004-9423 |
| Compound Name: | 2-methylpropyl 1-ethyl-6-methyl-4-[3-(2-phenylacetamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(Cc2ccccc2)=O)NC1=S)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6803 |
| logD: | 4.6801 |
| logSw: | -4.4269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.479 |
| InChI Key: | URMWCQGBTYPNLE-XMMPIXPASA-N |