methyl 4-[(2-{[(3,4-dimethoxyphenyl)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[(3,4-dimethoxyphenyl)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
methyl 4-[(2-{[(3,4-dimethoxyphenyl)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | K801-0561 |
| Compound Name: | methyl 4-[(2-{[(3,4-dimethoxyphenyl)methyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C27 H30 N2 O5 S |
| Smiles: | CC1CCc2c(C(Nc3ccc(cc3)C(=O)OC)=O)c(NCc3ccc(c(c3)OC)OC)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4019 |
| logD: | 5.4017 |
| logSw: | -5.6296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.714 |
| InChI Key: | PUJSBZSYGQZOBT-MRXNPFEDSA-N |