ethyl 4-amino-2-[(2-{[1-ethyl-3-(methylcarbamoyl)-1H-pyrazol-4-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(2-{[1-ethyl-3-(methylcarbamoyl)-1H-pyrazol-4-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{[1-ethyl-3-(methylcarbamoyl)-1H-pyrazol-4-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0229 |
| Compound Name: | ethyl 4-amino-2-[(2-{[1-ethyl-3-(methylcarbamoyl)-1H-pyrazol-4-yl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C16 H21 N7 O4 S |
| Smiles: | CCn1cc(c(C(NC)=O)n1)NC(CSc1ncc(C(=O)OCC)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2765 |
| logD: | -0.3693 |
| logSw: | -1.8875 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 121.567 |
| InChI Key: | WJORBGWAEBRJCB-UHFFFAOYSA-N |