ethyl 4-amino-2-{[(3-phenoxyphenyl)methyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[(3-phenoxyphenyl)methyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[(3-phenoxyphenyl)methyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E540-0063 |
| Compound Name: | ethyl 4-amino-2-{[(3-phenoxyphenyl)methyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCc1cccc(c1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5497 |
| logD: | 4.5497 |
| logSw: | -4.524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.98 |
| InChI Key: | OFDJIRCMFXLHQJ-UHFFFAOYSA-N |