methyl S-benzyl-N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}cysteinate
Chemical Structure Depiction of
methyl S-benzyl-N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}cysteinate
methyl S-benzyl-N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}cysteinate
Compound characteristics
| Compound ID: | 8016-7605 |
| Compound Name: | methyl S-benzyl-N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}cysteinate |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | COC(C(CSCc1ccccc1)NC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6255 |
| logD: | -0.9275 |
| logSw: | -3.1489 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.714 |
| InChI Key: | PHDSYUYLTAHWDI-IBGZPJMESA-N |