ethyl 2-({2-[4-(adamantan-1-yl)anilino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-({2-[4-(adamantan-1-yl)anilino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylate
ethyl 2-({2-[4-(adamantan-1-yl)anilino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0044 |
| Compound Name: | ethyl 2-({2-[4-(adamantan-1-yl)anilino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylate |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)c1ccc(cc1)NC(CSc1ncc(C(=O)OCC)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4962 |
| logD: | 5.4962 |
| logSw: | -5.3554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.143 |
| InChI Key: | QRIVIYGJCASKRA-UHFFFAOYSA-N |