8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
Compound ID: | C529-1862 |
Compound Name: | 8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
Molecular Weight: | 494.01 |
Molecular Formula: | C26 H24 Cl N3 O3 S |
Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)c1cccc(c1)[Cl])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.353 |
logD: | 3.353 |
logSw: | -3.8356 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 50.69 |
InChI Key: | HMSYBHYRGCYLCT-UHFFFAOYSA-N |