N-[(5-bromo-2-methoxyphenyl)methyl]-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | E851-1850 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C21 H23 Br N4 O2 |
| Smiles: | COc1ccc(cc1CNC(c1cnn2C3CCCCCCC=3C=Nc12)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8514 |
| logD: | 4.8512 |
| logSw: | -4.3858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.776 |
| InChI Key: | GKDNDSCVEIOPJD-UHFFFAOYSA-N |