propan-2-yl 4-{4-[(3-cyanophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-{4-[(3-cyanophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 4-{4-[(3-cyanophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-7902 |
| Compound Name: | propan-2-yl 4-{4-[(3-cyanophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(Nc2cccc(C#N)c2)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7742 |
| logD: | 4.7742 |
| logSw: | -4.4886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.264 |
| InChI Key: | ZPTIUBFYRCOPLA-JOCHJYFZSA-N |