ethyl 4-{10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
ethyl 4-{10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Compound characteristics
Compound ID: | K788-8330 |
Compound Name: | ethyl 4-{10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate |
Molecular Weight: | 552.05 |
Molecular Formula: | C28 H26 Cl N3 O5 S |
Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6294 |
logD: | 3.6294 |
logSw: | -4.0078 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 70.213 |
InChI Key: | CHCCMVNKZOEJOQ-UHFFFAOYSA-N |