N-benzyl-4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-benzyl-4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide
N-benzyl-4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V028-4357 |
| Compound Name: | N-benzyl-4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 384.82 |
| Molecular Formula: | C20 H17 Cl N2 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN(Cc2ccccc2)C(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0886 |
| logD: | 4.0886 |
| logSw: | -4.4748 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.521 |
| InChI Key: | ADLWWZBCCLNIKY-UHFFFAOYSA-N |