N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2,4-dichloro-N-[(oxolan-2-yl)methyl]benzamide
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)-2,4-dichloro-N-[(oxolan-2-yl)methyl]benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2,4-dichloro-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V030-8543 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2,4-dichloro-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 657.94 |
| Molecular Formula: | C32 H27 Cl3 N2 O7 |
| Smiles: | C1CC(CN(CC(N(CC2=COc3ccc(cc3C2=O)[Cl])Cc2ccc3c(c2)OCO3)=O)C(c2ccc(cc2[Cl])[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9527 |
| logD: | 4.9527 |
| logSw: | -5.1529 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.524 |
| InChI Key: | OTXLYYPPARULKL-HSZRJFAPSA-N |