2-[(4-chlorophenyl)sulfanyl]-N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]acetamide

2-[(4-chlorophenyl)sulfanyl]-N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]acetamide

CAS: 478260-45-6

Formula: C24H23ClFN3OS

SMILES: FC1=C(C=CC(NC(=O)CSC2=CC=C(Cl)C=C2)=C1)N1CCN(CC1)C1=CC=CC=C1

IUPAC: 2-[(4-chlorophenyl)sulfanyl]-N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]acetamide

InChI: InChI=1S/C24H23ClFN3OS/c25-18-6-9-21(10-7-18)31-17-24(30)27-19-8-11-23(22(26)16-19)29-14-12-28(13-15-29)20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,27,30)

Composition: C (63.22%), H (5.08%), Cl (7.77%), F (4.17%), N (9.22%), O (3.51%), S (7.03%)

Molar Mass: 455.98

Atom Count: 54

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	455.1234394
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QPQGCGBDBCJRSH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.32
Topological Polar Surface Area	35.58
Polarizability	47.88
Ring Count	4
Rotatable Bond Count	6

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