N-(4-bromo-3-methylphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(4-bromo-3-methylphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C700-0880 |
Compound Name: | N-(4-bromo-3-methylphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 595.9 |
Molecular Formula: | C28 H20 Br Cl N2 O4 S |
Smiles: | Cc1cc(ccc1[Br])NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.3988 |
logD: | 6.3969 |
logSw: | -6.0697 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.472 |
InChI Key: | CWWUFOFCZGVUDA-UHFFFAOYSA-N |