2-amino-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 4979-2482 |
| Compound Name: | 2-amino-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C26 H34 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9754 |
| logD: | 4.9754 |
| logSw: | -4.5927 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.081 |
| InChI Key: | RTTOHDGJLHRZPZ-HXUWFJFHSA-N |