10-[(3-chlorophenyl)methyl]-N-{3-[methyl(phenyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-{3-[methyl(phenyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-{3-[methyl(phenyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | K788-8375 |
Compound Name: | 10-[(3-chlorophenyl)methyl]-N-{3-[methyl(phenyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 558.1 |
Molecular Formula: | C31 H28 Cl N3 O3 S |
Smiles: | CN(CCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.609 |
logD: | 4.6041 |
logSw: | -4.5895 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.244 |
InChI Key: | AZLRGQAFAATVEJ-UHFFFAOYSA-N |