5-(2-oxo-2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-(2-oxo-2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-(2-oxo-2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0486 |
| Compound Name: | 5-(2-oxo-2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C26 H25 N O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(CC(c2ccccc2)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3557 |
| logD: | 4.3557 |
| logSw: | -4.3771 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.903 |
| InChI Key: | ZDOSMGWWAPEMOG-DEOSSOPVSA-N |