2'-{(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)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)-[(6-nitro-2H-1,3-benzodioxol-5-yl)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)-[(6-nitro-2H-1,3-benzodioxol-5-yl)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: | 2233-0396 |
| Compound Name: | 2'-{(E)-[(6-nitro-2H-1,3-benzodioxol-5-yl)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: | 381.34 |
| Molecular Formula: | C19 H15 N3 O6 |
| Smiles: | C1CC12C1C=CC2C2C1C(N(C2=O)/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1343 |
| logD: | 1.1343 |
| logSw: | -1.831 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.199 |
| InChI Key: | MRWFAVQHZKOANW-UHFFFAOYSA-N |