6-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
Compound ID: | E975-1151 |
Compound Name: | 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
Molecular Weight: | 443.52 |
Molecular Formula: | C22 H25 N3 O5 S |
Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.0299 |
logD: | 0.997 |
logSw: | -2.3773 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 71.802 |
InChI Key: | ZITJGMLPWFFKSO-UHFFFAOYSA-N |