2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-2793 |
| Compound Name: | 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 379.27 |
| Molecular Formula: | C16 H15 Br N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(s2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0331 |
| logD: | 3.0331 |
| logSw: | -3.3657 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.621 |
| InChI Key: | VXZDDOLNTVQFGL-ZDUSSCGKSA-N |