2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2-benzothiazol-3(2H)-one
2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2-benzothiazol-3(2H)-one
Compound characteristics
Compound ID: | E022-1228 |
Compound Name: | 2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2-benzothiazol-3(2H)-one |
Molecular Weight: | 411.52 |
Molecular Formula: | C22 H25 N3 O3 S |
Smiles: | COc1cccc(c1)N1CCN(CC1)C(CCCN1C(c2ccccc2S1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4045 |
logD: | 2.4044 |
logSw: | -2.7618 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.802 |
InChI Key: | JIWWJCILNBGPNI-UHFFFAOYSA-N |