N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)decanamide
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-(prop-2-en-1-yl)decanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)decanamide
Compound characteristics
| Compound ID: | V030-7714 |
| 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-(prop-2-en-1-yl)decanamide |
| Molecular Weight: | 595.14 |
| Molecular Formula: | C33 H39 Cl N2 O6 |
| Smiles: | CCCCCCCCCC(N(CC=C)CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8538 |
| logD: | 6.8538 |
| logSw: | -6.1589 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.864 |
| InChI Key: | CFNIWSDWROVMIY-UHFFFAOYSA-N |