methyl 4-[(2-{[(2,3,4-trimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[(2,3,4-trimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
methyl 4-[(2-{[(2,3,4-trimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | K801-0408 |
| Compound Name: | methyl 4-[(2-{[(2,3,4-trimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C27 H30 N2 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(c1c2CCCCc2sc1NCc1ccc(c(c1OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4161 |
| logD: | 5.4158 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.518 |
| InChI Key: | DRDUWUBJBFFOOR-UHFFFAOYSA-N |