N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-3,5,5-trimethyl-N-(prop-2-en-1-yl)hexanamide
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)-3,5,5-trimethyl-N-(prop-2-en-1-yl)hexanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-3,5,5-trimethyl-N-(prop-2-en-1-yl)hexanamide
Compound characteristics
| Compound ID: | V030-8568 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-3,5,5-trimethyl-N-(prop-2-en-1-yl)hexanamide |
| Molecular Weight: | 581.11 |
| Molecular Formula: | C32 H37 Cl N2 O6 |
| Smiles: | CC(CC(N(CC=C)CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.697 |
| logD: | 5.697 |
| logSw: | -5.8627 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.864 |
| InChI Key: | IVHYITDBPWFAJQ-OAQYLSRUSA-N |