N-(3-chloro-2-methylphenyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-(3-chloro-2-methylphenyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 3720-0947 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 358.74 |
| Molecular Formula: | C17 H11 Cl N2 O5 |
| Smiles: | Cc1c(cccc1[Cl])NC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8483 |
| logD: | 3.6984 |
| logSw: | -4.3345 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.935 |
| InChI Key: | FCEXCLMQOXLKOB-UHFFFAOYSA-N |