ethyl 10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
Compound ID: | F037-0021 |
Compound Name: | ethyl 10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
Molecular Weight: | 435.5 |
Molecular Formula: | C24 H21 N O5 S |
Smiles: | CCOC(c1ccc2c(c1)N(Cc1cccc(C)c1)C(c1ccccc1S2(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8655 |
logD: | 4.8655 |
logSw: | -4.5764 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 65.134 |
InChI Key: | FIHVIASUQUQBMO-UHFFFAOYSA-N |