4-chloro-3-nitro-N-[4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamide
Chemical Structure Depiction of
4-chloro-3-nitro-N-[4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamide
4-chloro-3-nitro-N-[4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | 2081-1164 |
| Compound Name: | 4-chloro-3-nitro-N-[4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamide |
| Molecular Weight: | 420.81 |
| Molecular Formula: | C22 H13 Cl N2 O5 |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3564 |
| logD: | 4.2875 |
| logSw: | -4.8119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.06 |
| InChI Key: | RIXFRRXAKOYFHR-UHFFFAOYSA-N |