2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | 8013-3164 |
| Compound Name: | 2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C18 H19 N O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(Nc2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.89 |
| logD: | 2.89 |
| logSw: | -3.3642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.097 |
| InChI Key: | KYEZPKHKPRZCNL-INIZCTEOSA-N |