ethyl 4-amino-2-[(2-{[3-(methoxycarbonyl)-5-phenylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(2-{[3-(methoxycarbonyl)-5-phenylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{[3-(methoxycarbonyl)-5-phenylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0226 |
| Compound Name: | ethyl 4-amino-2-[(2-{[3-(methoxycarbonyl)-5-phenylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C21 H20 N4 O5 S2 |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1c(cc(c2ccccc2)s1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7139 |
| logD: | 3.703 |
| logSw: | -4.0031 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.078 |
| InChI Key: | VBQGUCAIFOWIKN-UHFFFAOYSA-N |