methyl 4-{4-[(4-ethylphenyl)carbamamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(4-ethylphenyl)carbamamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{4-[(4-ethylphenyl)carbamamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V017-0231 |
| Compound Name: | methyl 4-{4-[(4-ethylphenyl)carbamamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CCc1ccc(cc1)NC(Nc1ccc(cc1)C1C(=C(C)N(C)C(N1)=S)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4202 |
| logD: | 4.4201 |
| logSw: | -4.2121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.99 |
| InChI Key: | DKRLBJVSVSNAKK-HXUWFJFHSA-N |