[4-(7-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
Chemical Structure Depiction of
[4-(7-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
[4-(7-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
Compound characteristics
| Compound ID: | 1711-1309 |
| Compound Name: | [4-(7-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C16 H12 N2 O3 S |
| Smiles: | CCOc1ccc2C=C(C(=O)Oc2c1)c1csc(CC#N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9261 |
| logD: | 2.9261 |
| logSw: | -3.3662 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.005 |
| InChI Key: | LQNQGGJJGMJLHT-UHFFFAOYSA-N |