N-(4-ethoxyphenyl)-6,6-dimethyl-9-(4-nitrophenyl)-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-6,6-dimethyl-9-(4-nitrophenyl)-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
N-(4-ethoxyphenyl)-6,6-dimethyl-9-(4-nitrophenyl)-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C202-3487 |
| Compound Name: | N-(4-ethoxyphenyl)-6,6-dimethyl-9-(4-nitrophenyl)-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C27 H27 N5 O5 |
| Smiles: | CCOc1ccc(cc1)NC(c1cnn2C(C3=C(CC(C)(C)CC3=O)Nc12)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6705 |
| logD: | 4.4225 |
| logSw: | -4.2936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.327 |
| InChI Key: | ZJYKDKNOBQXJLM-DEOSSOPVSA-N |