ethyl 4-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate
ethyl 4-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E851-1713 |
| Compound Name: | ethyl 4-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C22 H24 N4 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cnn2C3CCCCCCC=3C=Nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5959 |
| logD: | 4.5593 |
| logSw: | -4.1107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.577 |
| InChI Key: | IVOIXZHHVSXNNZ-UHFFFAOYSA-N |