4-{[2-(tert-butylsulfanyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one

Chemical Structure Depiction of
4-{[2-(tert-butylsulfanyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Available: 16 mg
Amount:
mg
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Compound characteristics

Compound ID: 8011-4659
Compound Name: 4-{[2-(tert-butylsulfanyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Molecular Weight: 322.38
Molecular Formula: C15 H18 N2 O4 S
Smiles: CC(C)(C)SCCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O
Stereo: ACHIRAL
logP: 2.5891
logD: 2.2871
logSw: -3.3926
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 65.006
InChI Key: UPGOFVKMPASMQY-UHFFFAOYSA-N
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