N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | K788-8605 |
Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 629.18 |
Molecular Formula: | C34 H33 Cl N4 O4 S |
Smiles: | C(CN1CCN(CC1)Cc1ccccc1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.374 |
logD: | 4.2355 |
logSw: | -4.4741 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.159 |
InChI Key: | YPHHTXBWTNDBGW-UHFFFAOYSA-N |