methyl 5-phenyl-2-{[N-(pyrimidin-2-yl)-beta-alanyl]amino}-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-phenyl-2-{[N-(pyrimidin-2-yl)-beta-alanyl]amino}-1,3-thiazole-4-carboxylate
methyl 5-phenyl-2-{[N-(pyrimidin-2-yl)-beta-alanyl]amino}-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y044-3632 |
| Compound Name: | methyl 5-phenyl-2-{[N-(pyrimidin-2-yl)-beta-alanyl]amino}-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | COC(c1c(c2ccccc2)sc(NC(CCNc2ncccn2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0465 |
| logD: | 2.0462 |
| logSw: | -2.697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.753 |
| InChI Key: | JCXQSDBNLZONTN-UHFFFAOYSA-N |