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
Available: 2 mg
Amount:
mg
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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
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