N-{4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
Compound ID: | G370-0002 |
Compound Name: | N-{4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
Molecular Weight: | 443.95 |
Molecular Formula: | C22 H22 Cl N3 O3 S |
Smiles: | C1CN(CCN1C(c1ccc(cc1)NC(C1=CSCCO1)=O)=O)c1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.1312 |
logD: | 2.9673 |
logSw: | -3.8321 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.867 |
InChI Key: | IMEKDFDDINNGLW-UHFFFAOYSA-N |