methyl 2-{2-[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 6218-0013 |
| Compound Name: | methyl 2-{2-[(6-oxo-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CSC1NC(CC(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5098 |
| logD: | 2.4994 |
| logSw: | -3.0995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.624 |
| InChI Key: | COAPWAOOJUTNQF-INIZCTEOSA-N |