4-(benzylamino)-3-nitro-2H-1-benzothiopyran-2-one

Chemical Structure Depiction of
4-(benzylamino)-3-nitro-2H-1-benzothiopyran-2-one
Available: 18 mg
Amount:
mg
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Compound characteristics

Compound ID: 0570-0024
Compound Name: 4-(benzylamino)-3-nitro-2H-1-benzothiopyran-2-one
Molecular Weight: 312.34
Molecular Formula: C16 H12 N2 O3 S
Smiles: C(c1ccccc1)NC1=C(C(=O)Sc2ccccc12)[N+]([O-])=O
Stereo: ACHIRAL
logP: 3.1347
logD: 2.5386
logSw: -3.6957
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 56.965
InChI Key: CBIACJWRJQGSOI-UHFFFAOYSA-N
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