methyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanamido)benzoate
methyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanamido)benzoate
Compound characteristics
| Compound ID: | 8017-7341 |
| Compound Name: | methyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}propanamido)benzoate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CC(C(Nc1ccc(cc1)C(=O)OC)=O)SC1=NC(C=C(N)N1CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1552 |
| logD: | 3.1551 |
| logSw: | -3.6232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.328 |
| InChI Key: | VWFMKJNHTSVPDB-HNNXBMFYSA-N |