ethyl 4-[{2-[(furan-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(pyridin-3-yl)methyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[{2-[(furan-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(pyridin-3-yl)methyl]piperazine-1-carboxylate
ethyl 4-[{2-[(furan-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(pyridin-3-yl)methyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D411-0818 |
| Compound Name: | ethyl 4-[{2-[(furan-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(pyridin-3-yl)methyl]piperazine-1-carboxylate |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1cccnc1)c1c2CCCCc2sc1NC(c1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0969 |
| logD: | 3.8089 |
| logSw: | -3.7133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.674 |
| InChI Key: | VLBMBJRRLSUVIQ-HSZRJFAPSA-N |