10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C530-1390 |
Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 504.6 |
Molecular Formula: | C28 H28 N2 O5 S |
Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCC2CCCO2)=O)(=O)=O)=O)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8314 |
logD: | 3.8314 |
logSw: | -3.8602 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.449 |
InChI Key: | PZXXMEVSVUWOCY-JOCHJYFZSA-N |