ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0236 |
| Compound Name: | ethyl 4-amino-2-[(2-{[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C19 H24 N4 O5 S2 |
| Smiles: | CCc1c(C(=O)OCC)c(NC(CSc2ncc(C(=O)OCC)c(N)n2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.3919 |
| logD: | 1.3467 |
| logSw: | -3.8188 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.929 |
| InChI Key: | ANTVAAKFWPTRGA-UHFFFAOYSA-N |