methyl 4-[(6-methyl-2-{[(2,4,5-trimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(6-methyl-2-{[(2,4,5-trimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
methyl 4-[(6-methyl-2-{[(2,4,5-trimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | K801-0559 |
| Compound Name: | methyl 4-[(6-methyl-2-{[(2,4,5-trimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C28 H32 N2 O6 S |
| Smiles: | CC1CCc2c(C(Nc3ccc(cc3)C(=O)OC)=O)c(NCc3cc(c(cc3OC)OC)OC)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6345 |
| logD: | 5.6343 |
| logSw: | -5.6024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.344 |
| InChI Key: | JRWZZEYXNDCRDM-MRXNPFEDSA-N |