4-[2-(azepan-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | C534-0577 |
Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 421.51 |
Molecular Formula: | C20 H27 N3 O5 S |
Smiles: | C1CCCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.6685 |
logD: | 1.6685 |
logSw: | -2.6365 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 72.869 |
InChI Key: | AQDKAYWETGGSNV-UHFFFAOYSA-N |