4-(4-acetylanilino)-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(4-acetylanilino)-3-nitro-2H-1-benzopyran-2-one
4-(4-acetylanilino)-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8010-2383 |
| Compound Name: | 4-(4-acetylanilino)-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C17 H12 N2 O5 |
| Smiles: | CC(c1ccc(cc1)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4604 |
| logD: | -1.5717 |
| logSw: | -3.062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.398 |
| InChI Key: | GYRICMOXRDZDFT-UHFFFAOYSA-N |