BM 567

CAT: 0127-BUP24070-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP24070-03Size:10 mg

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CAS Number

284464-77-3

Synonyms

BM-567, BM567

Purity

≥98%

Smiles

O=C (NCCCCC) NS (=O) (=O) C1=CC (=CC=C1NC2CCCCC2) N (=O) =O

Chemical Information

BM-567

BM 567 is a member of benzenes and a sulfonamide.

CAS Number	284464-77-3
PubChem CID	9866368
IUPAC Name	1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-pentylurea
Molecular Formula	C18H28N4O5S
Molecular Weight	412.5
XLogP	4.5
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	28
Formal Charge	0
Complexity	610

SMILES

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2

InChI

InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)

InChIKey

WNIPBGJWMANRGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 284464-77-3

CID: 9866368

Formula: C18H28N4O5S

MW: 412.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.5
XLogP3	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	412.17804118
Monoisotopic Mass	412.17804118
Topological Polar Surface Area	142 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	610
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	1
Compound Is Canonicalized	Yes

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