ethyl 2-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E002-1757 |
| Compound Name: | ethyl 2-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C20 H27 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Nc1nnc(N2CCCCC2C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9662 |
| logD: | 3.8466 |
| logSw: | -4.5989 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.107 |
| InChI Key: | FQLXPMHZFLCKEC-LBPRGKRZSA-N |