1-{4-[4-(3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
Compound ID: | F053-0964 |
Compound Name: | 1-{4-[4-(3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one |
Molecular Weight: | 417.55 |
Molecular Formula: | C20 H23 N3 O3 S2 |
Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1ccc2c(c1)NCCS2)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7612 |
logD: | 2.7612 |
logSw: | -3.406 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.515 |
InChI Key: | RBGFHSQDMDDVBZ-UHFFFAOYSA-N |