ethyl 2-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}butanamido)-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}butanamido)-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}butanamido)-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 8016-0396 |
| Compound Name: | ethyl 2-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}butanamido)-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C23 H27 N5 O4 S2 |
| Smiles: | CCC(C(Nc1nc(C)c(C(=O)OCC)s1)=O)SC1=NC(C=C(N)N1CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8794 |
| logD: | 3.8106 |
| logSw: | -4.1041 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.531 |
| InChI Key: | AISCUGVPNINJBA-INIZCTEOSA-N |