4-bromo-N-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
4-bromo-N-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y508-9512 |
| Compound Name: | 4-bromo-N-(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 405.25 |
| Molecular Formula: | C17 H17 Br N4 O3 |
| Smiles: | Cc1c(c(C(NN2C(C3C(C4C=CC3C43CC3)C2=O)=O)=O)nn1C)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1837 |
| logD: | -0.199 |
| logSw: | -0.7208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.022 |
| InChI Key: | IGNFPGGOCGAFRI-UHFFFAOYSA-N |