ethyl N-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl]-beta-alaninate
ethyl N-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S021-1459 |
| Compound Name: | ethyl N-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C21 H22 Cl N5 O4 |
| Smiles: | CCOC(CCNC(N1CCC2=C(C1)N=C1C=C(c3ccccc3[Cl])NN1C2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8195 |
| logD: | 1.8186 |
| logSw: | -3.0987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.209 |
| InChI Key: | IXABYPBDKZLYEM-UHFFFAOYSA-N |