6-(4-methylpiperazine-1-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(4-methylpiperazine-1-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
6-(4-methylpiperazine-1-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
Compound ID: | F952-1291 |
Compound Name: | 6-(4-methylpiperazine-1-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one |
Molecular Weight: | 454.57 |
Molecular Formula: | C19 H26 N4 O5 S2 |
Smiles: | CN1CCN(CC1)S(c1ccc2c(c1)SC(N2CCC(N1CCOCC1)=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 0.7297 |
logD: | 0.6671 |
logSw: | -2.2693 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 75.278 |
InChI Key: | PFWJVJUEBTWPNJ-UHFFFAOYSA-N |