ethyl 4-[(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(prop-2-en-1-yl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(prop-2-en-1-yl)carbamamido]benzoate
ethyl 4-[(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(prop-2-en-1-yl)carbamamido]benzoate
Compound characteristics
| Compound ID: | V002-3168 |
| Compound Name: | ethyl 4-[(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)(prop-2-en-1-yl)carbamamido]benzoate |
| Molecular Weight: | 567.64 |
| Molecular Formula: | C33 H33 N3 O6 |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CC=C)CC(N(CC1=COc2ccc(C)cc2C1=O)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1249 |
| logD: | 5.1249 |
| logSw: | -4.9429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.579 |
| InChI Key: | DGOMYCJLZYQMHG-UHFFFAOYSA-N |