2-amino-4-(4-bromo-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-bromo-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-bromo-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1447 |
| Compound Name: | 2-amino-4-(4-bromo-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 417.26 |
| Molecular Formula: | C19 H17 Br N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc3c(c2[Br])OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1817 |
| logD: | 3.1817 |
| logSw: | -3.4379 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.402 |
| InChI Key: | LBABAIPFEHGLFQ-CQSZACIVSA-N |