methyl 3-[(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)amino]benzoate
methyl 3-[(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | S021-1124 |
| Compound Name: | methyl 3-[(9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carbonyl)amino]benzoate |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C24 H21 N5 O4 |
| Smiles: | COC(c1cccc(c1)NC(N1CCC2=C(C1)N=C1C=C(c3ccccc3)NN1C2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8302 |
| logD: | 2.8301 |
| logSw: | -3.4897 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.788 |
| InChI Key: | NJXBPBAJVJWVQY-UHFFFAOYSA-N |