5-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0321 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H20 F N O2 S |
| Smiles: | COc1ccc(cc1)C1CC(N(Cc2ccc(cc2)F)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4233 |
| logD: | 5.4233 |
| logSw: | -5.3727 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.2221 |
| InChI Key: | KTMLXLXLYVMRFM-QFIPXVFZSA-N |