4-{[(4-chlorophenyl)methyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[(4-chlorophenyl)methyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[(4-chlorophenyl)methyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 6220-0797 |
| Compound Name: | 4-{[(4-chlorophenyl)methyl]amino}-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 330.73 |
| Molecular Formula: | C16 H11 Cl N2 O4 |
| Smiles: | C(c1ccc(cc1)[Cl])NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0768 |
| logD: | 1.2 |
| logSw: | -3.9597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.893 |
| InChI Key: | ZRTMTMAIUJSKAV-UHFFFAOYSA-N |