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5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

CAS: 13109-91-6

Formula: C17H14N2O2S

SMILES: COC1=CC=CC(C=C2NC(=S)N(C2=O)C2=CC=CC=C2)=C1

IUPAC: 5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1S/C17H14N2O2S/c1-21-14-9-5-6-12(10-14)11-15-16(20)19(17(22)18-15)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,22)

Composition: C (65.79%), H (4.55%), N (9.03%), O (10.31%), S (10.33%)

Molar Mass: 310.37

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 310.077598873
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MWWTVXPXKVNFDK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.86
Topological Polar Surface Area 41.57
Polarizability 34.61
Ring Count 3
Rotatable Bond Count 3

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