4,4'-(1,4-phenylene)bis(2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile)
Chemical Structure Depiction of
4,4'-(1,4-phenylene)bis(2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile)
4,4'-(1,4-phenylene)bis(2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile)
Compound characteristics
| Compound ID: | 3132-1140 |
| Compound Name: | 4,4'-(1,4-phenylene)bis(2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile) |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C30 H30 N4 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5333 |
| logD: | 2.5333 |
| logSw: | -2.7423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.966 |
| InChI Key: | KKYKZLCNFIFHIP-UHFFFAOYSA-N |