4-cyano-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-cyano-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]benzene-1-sulfonamide
4-cyano-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | F555-0340 |
| Compound Name: | 4-cyano-N-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]benzene-1-sulfonamide |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | C1CCN(C1)C1=C(C(=O)Oc2ccccc12)NS(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7785 |
| logD: | -2.376 |
| logSw: | -3.6782 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.802 |
| InChI Key: | ADMOMAIPTDRQGG-UHFFFAOYSA-N |