ethyl 2-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C714-0155 |
| Compound Name: | ethyl 2-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 472.62 |
| Molecular Formula: | C24 H28 N2 O4 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CN1C(CC(C)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.06 |
| logD: | 2.7231 |
| logSw: | -4.5233 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.899 |
| InChI Key: | IGYSAUOZQMXRSP-HNNXBMFYSA-N |