4-nitro-N-[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-nitro-N-[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]benzene-1-sulfonamide
4-nitro-N-[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G312-0002 |
| Compound Name: | 4-nitro-N-[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]benzene-1-sulfonamide |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | CCCNC1=C(C(=O)Oc2ccccc12)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5414 |
| logD: | -3.2085 |
| logSw: | -3.1726 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.937 |
| InChI Key: | IYLHPJJUWLAWMT-UHFFFAOYSA-N |