N-(3-acetamidophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3-acetamidophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3-acetamidophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0456 |
| Compound Name: | N-(3-acetamidophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C28 H29 N3 O6 S |
| Smiles: | CC(Nc1cccc(c1)NC(CN1C(CC(c2cc(c(c(c2)OC)OC)OC)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7218 |
| logD: | 3.7218 |
| logSw: | -4.0905 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.067 |
| InChI Key: | ZRTCUARAYQTZQE-VWLOTQADSA-N |