8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
Chemical Structure Depiction of
8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole]
Compound characteristics
| Compound ID: | 0394-0714 |
| Compound Name: | 8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[[1]benzopyran-2,2'-indole] |
| Molecular Weight: | 446.26 |
| Molecular Formula: | C19 H16 Br N3 O5 |
| Smiles: | CC1(C)c2cc(ccc2N(C)C12C=Cc1cc(cc(c1O2)[Br])[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5392 |
| logD: | 5.5392 |
| logSw: | -5.5455 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.88 |
| InChI Key: | KLZQMMNRSGCZAZ-LJQANCHMSA-N |