N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0442 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C28 H30 N2 O7 S |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(CC(c2cc(c(c(c2)OC)OC)OC)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0521 |
| logD: | 4.052 |
| logSw: | -4.1593 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.066 |
| InChI Key: | JLILRYWWYIYIER-VWLOTQADSA-N |