ethyl 4-amino-2-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0260 |
| Compound Name: | ethyl 4-amino-2-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C17 H20 N4 O4 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(NCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0483 |
| logD: | 2.0483 |
| logSw: | -2.7789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.247 |
| InChI Key: | XTWGCJTYGNFCGC-UHFFFAOYSA-N |