5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0409 |
| Compound Name: | 5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C24 H28 N2 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(CC(N2CCCC2)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2266 |
| logD: | 3.2266 |
| logSw: | -3.5379 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.415 |
| InChI Key: | VBQSPMHQQHOYMF-NRFANRHFSA-N |