2'-{(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-3'a,4',7',7'a-tetrahydro-1'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindole]-1',3'(2'H)-dione
Chemical Structure Depiction of
2'-{(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-3'a,4',7',7'a-tetrahydro-1'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindole]-1',3'(2'H)-dione
2'-{(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-3'a,4',7',7'a-tetrahydro-1'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindole]-1',3'(2'H)-dione
Compound characteristics
| Compound ID: | 8007-5553 |
| Compound Name: | 2'-{(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-3'a,4',7',7'a-tetrahydro-1'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindole]-1',3'(2'H)-dione |
| Molecular Weight: | 417.26 |
| Molecular Formula: | C19 H17 Br N2 O4 |
| Smiles: | COc1cc(/C=N/N2C(C3C(C4C=CC3C43CC3)C2=O)=O)cc(c1O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2622 |
| logD: | 1.2133 |
| logSw: | -1.5148 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.113 |
| InChI Key: | NHOSSFPJIXFCTK-ODCIPOBUSA-N |