propan-2-yl 1-ethyl-4-{4-[2-(4-methoxyphenyl)acetamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-4-{4-[2-(4-methoxyphenyl)acetamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-ethyl-4-{4-[2-(4-methoxyphenyl)acetamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V003-9217 |
| Compound Name: | propan-2-yl 1-ethyl-4-{4-[2-(4-methoxyphenyl)acetamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(Cc2ccc(cc2)OC)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.134 |
| logD: | 4.134 |
| logSw: | -4.1506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.326 |
| InChI Key: | ZZPLVKUISSWLEG-XMMPIXPASA-N |