N-[2-(azepan-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(azepan-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | K788-8422 |
Compound Name: | N-[2-(azepan-1-yl)ethyl]-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 536.09 |
Molecular Formula: | C29 H30 Cl N3 O3 S |
Smiles: | C1CCCN(CC1)CCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4357 |
logD: | 3.459 |
logSw: | -4.4551 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.353 |
InChI Key: | KQSWLOADRMFEPO-UHFFFAOYSA-N |