6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
Compound ID: | L475-0123 |
Compound Name: | 6-{4-[(3-methylphenoxy)acetyl]piperazine-1-sulfonyl}-1,3-benzothiazol-2(3H)-one |
Molecular Weight: | 447.53 |
Molecular Formula: | C20 H21 N3 O5 S2 |
Smiles: | Cc1cccc(c1)OCC(N1CCN(CC1)S(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5678 |
logD: | 2.5461 |
logSw: | -2.9503 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.525 |
InChI Key: | BDUALZJHLOLYFC-UHFFFAOYSA-N |