2-ethoxyethyl 10-[(2-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
2-ethoxyethyl 10-[(2-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
2-ethoxyethyl 10-[(2-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
Compound ID: | F089-0017 |
Compound Name: | 2-ethoxyethyl 10-[(2-cyanophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
Molecular Weight: | 490.53 |
Molecular Formula: | C26 H22 N2 O6 S |
Smiles: | CCOCCOC(c1ccc2c(c1)N(Cc1ccccc1C#N)C(c1ccccc1S2(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6191 |
logD: | 3.6191 |
logSw: | -3.846 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 90.462 |
InChI Key: | RUJVBDGDYVDZQV-UHFFFAOYSA-N |