methyl 4-{4-[([1,1'-biphenyl]-4-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[([1,1'-biphenyl]-4-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{4-[([1,1'-biphenyl]-4-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8216 |
| Compound Name: | methyl 4-{4-[([1,1'-biphenyl]-4-carbonyl)amino]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C28 H27 N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(c2ccc(cc2)c2ccccc2)=O)NC1=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0955 |
| logD: | 5.0955 |
| logSw: | -5.0216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.465 |
| InChI Key: | VATKJTSWGUZULE-RUZDIDTESA-N |