5-[(2-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-[(2-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[(2-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0485 |
| Compound Name: | 5-[(2-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 453.53 |
| Molecular Formula: | C25 H24 F N O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(Cc2ccccc2F)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2517 |
| logD: | 5.2517 |
| logSw: | -5.0182 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.656 |
| InChI Key: | ZWVCRAMKKPPVPL-QHCPKHFHSA-N |