5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8665 |
| Compound Name: | 5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(n3cccc3)O2)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0893 |
| logD: | 3.0893 |
| logSw: | -3.4966 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.403 |
| InChI Key: | ZNEDOLFTTWNNPD-INIZCTEOSA-N |