N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-nitrobenzamide
N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 7186-0067 |
| Compound Name: | N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 312.32 |
| Molecular Formula: | C17 H16 N2 O4 |
| Smiles: | C1COC(CNC(c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7721 |
| logD: | 2.7721 |
| logSw: | -3.2235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.666 |
| InChI Key: | YZQIOABOYQEETF-INIZCTEOSA-N |