N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C700-0496 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 503.57 |
| Molecular Formula: | C24 H29 N3 O7 S |
| Smiles: | COc1ccc(CCNC(CN2C(COc3ccc(cc23)S(N2CCCC2)(=O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.1137 |
| logD: | 1.1137 |
| logSw: | -2.5801 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.719 |
| InChI Key: | ZIFSHZQXURROHP-UHFFFAOYSA-N |