methyl 4-{2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
methyl 4-{2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C714-0454 |
| Compound Name: | methyl 4-{2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 536.6 |
| Molecular Formula: | C28 H28 N2 O7 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(CC(c2cc(c(c(c2)OC)OC)OC)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6079 |
| logD: | 4.6077 |
| logSw: | -4.322 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.979 |
| InChI Key: | XHBSFOQZTFWVHF-DEOSSOPVSA-N |