ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C714-0290 |
| Compound Name: | ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H26 N2 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(CC(c2ccc(cc2)OC)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0683 |
| logD: | 5.042 |
| logSw: | -4.5445 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.427 |
| InChI Key: | CYQDJARUSHPFNA-DEOSSOPVSA-N |