2-amino-7,7-dimethyl-5'-nitro-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5'-nitro-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
2-amino-7,7-dimethyl-5'-nitro-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4456 |
| Compound Name: | 2-amino-7,7-dimethyl-5'-nitro-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C19 H16 N4 O5 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N)O2)C(Nc2ccc(cc12)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7426 |
| logD: | 1.7141 |
| logSw: | -2.5765 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.227 |
| InChI Key: | LLYCONRSKNIDAA-LJQANCHMSA-N |