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1-{[1,1'-biphenyl]-4-yl}-2-(morpholin-4-yl)-2-sulfanylideneethanone

1-{[1,1'-biphenyl]-4-yl}-2-(morpholin-4-yl)-2-sulfanylideneethanone

Formula: C18H17NO2S

SMILES: O=C(C(=S)N1CCOCC1)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 1-{[1,1'-biphenyl]-4-yl}-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one

InChI: InChI=1S/C18H17NO2S/c20-17(18(22)19-10-12-21-13-11-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2

Composition: C (69.43%), H (5.50%), N (4.50%), O (10.28%), S (10.30%)

Molar Mass: 311.4

Atom Count: 39

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 311.097999965
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZFPKMDOCVBNFGX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.07
Topological Polar Surface Area 29.54
Polarizability 36.99
Ring Count 3
Rotatable Bond Count 3

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