methyl 3-{[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]amino}benzoate
methyl 3-{[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | T408-0641 |
| Compound Name: | methyl 3-{[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]amino}benzoate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | COC(c1cccc(c1)NC(C1CCc2c(C1)cc(C(N1CCCC1)=O)s2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9963 |
| logD: | 3.9961 |
| logSw: | -4.1005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.457 |
| InChI Key: | JZAGLIFJBIIRHH-CQSZACIVSA-N |