6-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
Compound ID: | L475-0066 |
Compound Name: | 6-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
Molecular Weight: | 461.56 |
Molecular Formula: | C21 H23 N3 O5 S2 |
Smiles: | COc1ccc(CCC(N2CCN(CC2)S(c2ccc3c(c2)SC(N3)=O)(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.8658 |
logD: | 2.8441 |
logSw: | -3.6766 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.57 |
InChI Key: | MQRYAAUDJWGHOI-UHFFFAOYSA-N |