2-amino-4-(4,7-dimethoxy-6-propyl-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-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4,7-dimethoxy-6-propyl-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: | 8019-6594 |
| Compound Name: | 2-amino-4-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C24 H28 N2 O6 |
| Smiles: | CCCc1c(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(c2c(c1OC)OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8026 |
| logD: | 3.8026 |
| logSw: | -4.2666 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.52 |
| InChI Key: | IHCGGYYQBUIXLW-INIZCTEOSA-N |