ethyl N-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)-beta-alaninate
ethyl N-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | S021-1131 |
| Compound Name: | ethyl N-(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)-beta-alaninate |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | CCOC(CCNC(N1CCC2=C(C1)N=C1C=C(c3ccccc3)NN1C2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3013 |
| logD: | 1.3012 |
| logSw: | -2.1547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.209 |
| InChI Key: | XYWIXYQJGPNYRL-UHFFFAOYSA-N |