4-(3-methoxyanilino)-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(3-methoxyanilino)-3-nitro-2H-1-benzopyran-2-one
4-(3-methoxyanilino)-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8010-2371 |
| Compound Name: | 4-(3-methoxyanilino)-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 312.28 |
| Molecular Formula: | C16 H12 N2 O5 |
| Smiles: | COc1cccc(c1)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9847 |
| logD: | 0.0671 |
| logSw: | -3.7435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.115 |
| InChI Key: | AREUCRAMOVEHKV-UHFFFAOYSA-N |