N-(2,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
N-(2,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-0584 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | COc1ccc(c(c1)NC(C1CCc2c(C1)cc(C(N1CCCC1)=O)s2)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.707 |
| logD: | 3.6935 |
| logSw: | -3.9119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.759 |
| InChI Key: | MRTUIIGFBGDQSA-CQSZACIVSA-N |