ethyl 4-amino-2-{[(4-ethenylphenyl)methyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[(4-ethenylphenyl)methyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[(4-ethenylphenyl)methyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0061 |
| Compound Name: | ethyl 4-amino-2-{[(4-ethenylphenyl)methyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | CCOC(c1cnc(nc1N)SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1886 |
| logD: | 3.1886 |
| logSw: | -3.2626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.232 |
| InChI Key: | FPUHMJUGJRBCKD-UHFFFAOYSA-N |