methyl 4-{4-[([1,1'-biphenyl]-4-carbonyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[([1,1'-biphenyl]-4-carbonyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{4-[([1,1'-biphenyl]-4-carbonyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V010-6803 |
| Compound Name: | methyl 4-{4-[([1,1'-biphenyl]-4-carbonyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)NC(c2ccc(cc2)c2ccccc2)=O)NC(N1C)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5577 |
| logD: | 4.5577 |
| logSw: | -4.5259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.506 |
| InChI Key: | NJKHIPGYNMGQII-XMMPIXPASA-N |