N-(2H-1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0281 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | COc1ccc(cc1)C1CC(N(CC(Nc2ccc3c(c2)OCO3)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6332 |
| logD: | 4.6331 |
| logSw: | -4.3567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.487 |
| InChI Key: | NYRHZQXTBGSLGF-QHCPKHFHSA-N |