4-chloro-N-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-nitrobenzene-1-sulfonamide
4-chloro-N-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | C301-4538 |
| Compound Name: | 4-chloro-N-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 423.83 |
| Molecular Formula: | C17 H14 Cl N3 O6 S |
| Smiles: | CCNC1=C(C(=O)Oc2ccccc12)NS(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5156 |
| logD: | -3.7906 |
| logSw: | -3.7306 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.42 |
| InChI Key: | RDSKMDNQNPVZQI-UHFFFAOYSA-N |