methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D399-2852 |
| Compound Name: | methyl 2-{[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 390.52 |
| Molecular Formula: | C19 H22 N2 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(N1CCCC1c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0415 |
| logD: | 3.5742 |
| logSw: | -4.2342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.403 |
| InChI Key: | JTDQYSDSFVYWNB-ZDUSSCGKSA-N |