diethyl 3-methyl-5-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C714-0156 |
| Compound Name: | diethyl 3-methyl-5-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C23 H26 N2 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CN1C(CC(C)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0321 |
| logD: | 1.8728 |
| logSw: | -4.1413 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.401 |
| InChI Key: | DZZILANEFZIKQT-ZDUSSCGKSA-N |