ethyl 3-[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carbonyl)amino]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 3-[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carbonyl)amino]benzoate--hydrogen chloride (1/1)
ethyl 3-[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carbonyl)amino]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | G657-0440 |
| Compound Name: | ethyl 3-[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carbonyl)amino]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C21 H23 N5 O4 |
| Salt: | HCl |
| Smiles: | CCN1C2CCNCC=2C(n2c1c(cn2)C(Nc1cccc(c1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2533 |
| logD: | 1.9105 |
| logSw: | -2.9484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.405 |
| InChI Key: | KKYNAGOXIKZHOG-UHFFFAOYSA-N |