N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0300 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C25 H23 F N2 O3 S |
| Smiles: | COc1ccc(cc1)C1CC(N(CC(NCc2ccc(cc2)F)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4069 |
| logD: | 4.4069 |
| logSw: | -4.2459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.694 |
| InChI Key: | YCYNNBJEWATZSO-QHCPKHFHSA-N |