N-(2,3-dimethylcyclohexyl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,3-dimethylcyclohexyl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C529-0741 |
Compound Name: | N-(2,3-dimethylcyclohexyl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 504.62 |
Molecular Formula: | C29 H29 F N2 O3 S |
Smiles: | CC1CCCC(C1C)NC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.6706 |
logD: | 4.6706 |
logSw: | -4.3963 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.313 |
InChI Key: | JCWBEYPPPBIHJU-UHFFFAOYSA-N |