ethyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(butyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(butyl)carbamamido]benzoate
ethyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(butyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | V013-2575 |
| Compound Name: | ethyl 4-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(butyl)carbamamido]benzoate |
| Molecular Weight: | 648.11 |
| Molecular Formula: | C34 H34 Cl N3 O8 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)C(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0327 |
| logD: | 6.0327 |
| logSw: | -6.0057 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.695 |
| InChI Key: | FLCPNFWCSVVTDE-UHFFFAOYSA-N |