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N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

CAS: 681136-29-8

Formula: C19H19N5OS

SMILES: O=C(NC1=CC=CC=C1)N1CCN(CC1)C1=NC(=NS1)C1=CC=CC=C1

IUPAC: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

InChI: InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)

Composition: C (62.45%), H (5.24%), N (19.16%), O (4.38%), S (8.77%)

Molar Mass: 365.46

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 365.131031426
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BHBOSTKQCZEAJM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.85
Topological Polar Surface Area 61.36
Polarizability 39.05
Ring Count 4
Rotatable Bond Count 3

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