2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-4746 |
| Compound Name: | 2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 513.45 |
| Molecular Formula: | C25 H25 Br N2 O3 S |
| Smiles: | CCc1c(COc2ccc(cc2)[Br])cc(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.455 |
| logD: | 5.455 |
| logSw: | -5.3897 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.848 |
| InChI Key: | YVGXNQPRIAYCIK-QFIPXVFZSA-N |