2-amino-1'-(hydroxymethyl)-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Chemical Structure Depiction of
2-amino-1'-(hydroxymethyl)-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
2-amino-1'-(hydroxymethyl)-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Compound characteristics
| Compound ID: | 5066-0095 |
| Compound Name: | 2-amino-1'-(hydroxymethyl)-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N)O2)C(N(CO)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2036 |
| logD: | 1.2036 |
| logSw: | -2.1374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.366 |
| InChI Key: | AGDPHRVCVMRMQC-HXUWFJFHSA-N |