ethyl 4-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
ethyl 4-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C714-0129 |
| Compound Name: | ethyl 4-[2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(CC(C)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0737 |
| logD: | 4.0735 |
| logSw: | -4.0212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.853 |
| InChI Key: | GYOKQESVZCJNGD-AWEZNQCLSA-N |