N-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
N-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V002-2903 |
| Compound Name: | N-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 559.59 |
| Molecular Formula: | C31 H30 F N3 O6 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7889 |
| logD: | 4.7889 |
| logSw: | -4.5621 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.085 |
| InChI Key: | FJHFHXHMSRYSJN-UHFFFAOYSA-N |