ethyl 4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)(propyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)(propyl)carbamamido]benzoate
ethyl 4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)(propyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | V001-0404 |
| Compound Name: | ethyl 4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)(propyl)carbamamido]benzoate |
| Molecular Weight: | 581.73 |
| Molecular Formula: | C31 H39 N3 O6 S |
| Smiles: | CCCN(CC(N(CCc1ccc(c(c1)OC)OC)Cc1c(C)ccs1)=O)C(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.393 |
| logD: | 5.393 |
| logSw: | -5.3943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.944 |
| InChI Key: | IOUZVSYEQUNAJV-UHFFFAOYSA-N |