N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-chlorobenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-chlorobenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-chlorobenzamide
Compound characteristics
| Compound ID: | V001-5640 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-chlorobenzamide |
| Molecular Weight: | 595.48 |
| Molecular Formula: | C31 H28 Cl2 N2 O6 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6441 |
| logD: | 5.6441 |
| logSw: | -5.8381 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.12 |
| InChI Key: | JOQGQTGWMVLSBQ-UHFFFAOYSA-N |