2-amino-4-(5-bromothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-bromothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(5-bromothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1145 |
| Compound Name: | 2-amino-4-(5-bromothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 351.22 |
| Molecular Formula: | C14 H11 Br N2 O2 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(s2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4331 |
| logD: | 2.4331 |
| logSw: | -2.7495 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.621 |
| InChI Key: | HDFYCYHFECJITJ-LBPRGKRZSA-N |