methyl 4-{3-[(4-cyanophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{3-[(4-cyanophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{3-[(4-cyanophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-8915 |
| Compound Name: | methyl 4-{3-[(4-cyanophenyl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(Nc2ccc(C#N)cc2)=O)NC1=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9023 |
| logD: | 3.9022 |
| logSw: | -4.0674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.005 |
| InChI Key: | VPVWNXYLBUTZOD-HXUWFJFHSA-N |