ethyl 4-amino-2-[(2-{ethyl[4-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(2-{ethyl[4-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(2-{ethyl[4-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0274 |
| Compound Name: | ethyl 4-amino-2-[(2-{ethyl[4-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCN(C(CSc1ncc(C(=O)OCC)c(N)n1)=O)c1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.064 |
| logD: | 4.064 |
| logSw: | -4.2102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.324 |
| InChI Key: | XDRQAGKQGWIYMO-UHFFFAOYSA-N |