N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-1,2,3,4-tetrahydro-5H-1lambda~4~,5-benzothiazepin-5-yl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-1,2,3,4-tetrahydro-5H-1lambda~4~,5-benzothiazepin-5-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-1,2,3,4-tetrahydro-5H-1lambda~4~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C758-0049 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-1,2,3,4-tetrahydro-5H-1lambda~4~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | COc1ccc(CCNC(CN2C(CCS(c3ccccc23)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.8765 |
| logD: | 0.8765 |
| logSw: | -2.4144 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.68 |
| InChI Key: | NUICJOIGYZQPNS-UHFFFAOYSA-N |