Bvt 2733 hydrochloride

CAT: 0926-BQA64165-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BQA64165-01Size:5 mg

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CAS Number

376641-65-5

MDL Number

MFCD13152133

Smiles

CC1=C (C=CC=C1Cl) S (=O) (=O) NC2=NC (=CS2) CC (=O) N3CCN (CC3) C.Cl

Molecular Formula

C17H22Cl2N4O3S2

Molecular Weight

465.4 g/mol

Controlled

Chemical Information

BVT 2733 hydrochloride

CAS Number	376641-65-5
PubChem CID	6918650
IUPAC Name	3-chloro-2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride
Molecular Formula	C17H22Cl2N4O3S2
Molecular Weight	465.4
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	622

SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C.Cl

InChI

InChI=1S/C17H21ClN4O3S2.ClH/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22;/h3-5,11H,6-10H2,1-2H3,(H,19,20);1H

InChIKey

VQQOVTXLJDVTLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 376641-65-5

CID: 6918650

Formula: C17H22Cl2N4O3S2

MW: 465.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	465.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	464.0510383
Monoisotopic Mass	464.0510383
Topological Polar Surface Area	119 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	622
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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