10-[(2,5-dimethylphenyl)methyl]-N-(2-ethylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-(2-ethylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-(2-ethylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C700-0362 |
Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(2-ethylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 524.64 |
Molecular Formula: | C31 H28 N2 O4 S |
Smiles: | CCc1ccccc1NC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.3126 |
logD: | 6.3126 |
logSw: | -5.4217 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.774 |
InChI Key: | PKIAZYMGFXHDBY-UHFFFAOYSA-N |