N-(3,4-dimethoxyphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3,4-dimethoxyphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0604 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(CC(c2ccco2)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5231 |
| logD: | 3.5231 |
| logSw: | -3.8477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.667 |
| InChI Key: | DZAJFTZBMZBJDM-NRFANRHFSA-N |