N-(2-{benzyl[(5-methylfuran-2-yl)methyl]amino}-2-oxoethyl)-4-nitro-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{benzyl[(5-methylfuran-2-yl)methyl]amino}-2-oxoethyl)-4-nitro-N-(prop-2-en-1-yl)benzamide
N-(2-{benzyl[(5-methylfuran-2-yl)methyl]amino}-2-oxoethyl)-4-nitro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V001-2453 |
| Compound Name: | N-(2-{benzyl[(5-methylfuran-2-yl)methyl]amino}-2-oxoethyl)-4-nitro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | Cc1ccc(CN(Cc2ccccc2)C(CN(CC=C)C(c2ccc(cc2)[N+]([O-])=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7368 |
| logD: | 3.7368 |
| logSw: | -3.9926 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.756 |
| InChI Key: | HBDCZACYKLILPE-UHFFFAOYSA-N |