10-[(3-chlorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | K788-8604 |
Compound Name: | 10-[(3-chlorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 649.6 |
Molecular Formula: | C33 H30 Cl2 N4 O4 S |
Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2766 |
logD: | 5.2525 |
logSw: | -5.7397 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.879 |
InChI Key: | OCLKXFFTAXGPLU-UHFFFAOYSA-N |