1-{7-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0254 |
| Compound Name: | 1-{7-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 476.61 |
| Molecular Formula: | C23 H28 N2 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCC(C1)c1cc(ccc1OC)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.043 |
| logD: | 4.043 |
| logSw: | -4.1797 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.535 |
| InChI Key: | JMDOOJGNNCKJNA-QGZVFWFLSA-N |