N-[2-(2,4-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-(2,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
Compound ID: | C700-0943 |
Compound Name: | N-[2-(2,4-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)c(c1)OC |
Stereo: | ACHIRAL |
logP: | 1.8807 |
logD: | 1.8807 |
logSw: | -2.8618 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 95.632 |
InChI Key: | ZSTVYPNSMHWMRN-UHFFFAOYSA-N |