8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
Compound ID: | C530-0279 |
Compound Name: | 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
Molecular Weight: | 503.62 |
Molecular Formula: | C28 H29 N3 O4 S |
Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)c1cc(C)ccc1C)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.057 |
logD: | 4.057 |
logSw: | -4.0833 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.985 |
InChI Key: | LILMWKHQNHDQAB-UHFFFAOYSA-N |