ethyl 2-{2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
ethyl 2-{2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C714-0371 |
| Compound Name: | ethyl 2-{2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C28 H28 N2 O6 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(CC(c2ccc(c(c2)OC)OC)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7181 |
| logD: | 4.6917 |
| logSw: | -4.4355 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.144 |
| InChI Key: | JUJVIYZPNVCEAQ-VWLOTQADSA-N |