N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-2-chloro-4-nitrobenzamide
Chemical Structure Depiction of
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-2-chloro-4-nitrobenzamide
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-2-chloro-4-nitrobenzamide
Compound characteristics
| Compound ID: | V015-8882 |
| Compound Name: | N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-2-chloro-4-nitrobenzamide |
| Molecular Weight: | 576.05 |
| Molecular Formula: | C31 H30 Cl N3 O6 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(C)cc2C1=O)Cc1ccccc1)=O)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3387 |
| logD: | 5.3387 |
| logSw: | -5.9361 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.386 |
| InChI Key: | CSLKHWAMVFGLOE-UHFFFAOYSA-N |