2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C700-1211 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C26 H33 N3 O7 S |
| Smiles: | COc1ccc(CCNC(CN2C(COc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9401 |
| logD: | 1.9401 |
| logSw: | -2.8394 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.684 |
| InChI Key: | IOGYVQFBGSHBKM-UHFFFAOYSA-N |