3-[3-(morpholin-4-yl)-3-oxopropyl]-6-(4-phenylpiperazine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-[3-(morpholin-4-yl)-3-oxopropyl]-6-(4-phenylpiperazine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
3-[3-(morpholin-4-yl)-3-oxopropyl]-6-(4-phenylpiperazine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
Compound ID: | F952-1252 |
Compound Name: | 3-[3-(morpholin-4-yl)-3-oxopropyl]-6-(4-phenylpiperazine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one |
Molecular Weight: | 516.64 |
Molecular Formula: | C24 H28 N4 O5 S2 |
Smiles: | C(CN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)c1ccccc1)(=O)=O)C(N1CCOCC1)=O |
Stereo: | ACHIRAL |
logP: | 2.5469 |
logD: | 2.5469 |
logSw: | -2.8854 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 75.062 |
InChI Key: | AIPQZWLDRCJCIU-UHFFFAOYSA-N |