ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-5-phenylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-5-phenylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-5-phenylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0227 |
| Compound Name: | ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-5-phenylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C22 H22 N4 O5 S2 |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1c(cc(c2ccccc2)s1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2575 |
| logD: | 4.2467 |
| logSw: | -4.28 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.658 |
| InChI Key: | ZUTYJTOPJYLJMJ-UHFFFAOYSA-N |