10-[(2-fluorophenyl)methyl]-5,11-dioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-5,11-dioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-5,11-dioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C529-0704 |
Compound Name: | 10-[(2-fluorophenyl)methyl]-5,11-dioxo-N-[(pyridin-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 485.54 |
Molecular Formula: | C27 H20 F N3 O3 S |
Smiles: | C(c1ccccn1)NC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3357 |
logD: | 3.3356 |
logSw: | -3.958 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.741 |
InChI Key: | HDXLOPYTQDDZGU-UHFFFAOYSA-N |