1-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazine

1-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazine

CAS: 522597-21-3

Formula: C13H12Cl2N2OS

SMILES: ClC1=C(SC2=CC(Cl)=CC=C12)C(=O)N1CCNCC1

IUPAC: 1-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazine

InChI: InChI=1S/C13H12Cl2N2OS/c14-8-1-2-9-10(7-8)19-12(11(9)15)13(18)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2

Composition: C (49.54%), H (3.84%), Cl (22.49%), N (8.89%), O (5.08%), S (10.17%)

Molar Mass: 315.21

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	314.0047396
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RHULTVOKHWJTEB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.42
Topological Polar Surface Area	32.34
Polarizability	31.31
Ring Count	3
Rotatable Bond Count	1

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