N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methyl-3-nitrobenzamide
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V002-3191 |
| Compound Name: | N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 555.63 |
| Molecular Formula: | C32 H33 N3 O6 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(C)cc2C1=O)Cc1ccccc1)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.168 |
| logD: | 5.168 |
| logSw: | -4.9912 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.085 |
| InChI Key: | YOACPQBJESHIRC-UHFFFAOYSA-N |