Ro-15-2041 50mg

CAT: 0628-A12570-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A12570-50Size:50 mg

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CAS Number

77448-87-4

Chemical Information

Ro-15-2041

CAS Number	77448-87-4
PubChem CID	135516730
IUPAC Name	7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
Molecular Formula	C12H12BrN3O
Molecular Weight	294.15
XLogP	1.8
Topological Polar Surface Area	44.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	384

SMILES

CC1C(=O)NC2=NC3=C(CN12)C(=C(C=C3)Br)C

InChI

InChI=1S/C12H12BrN3O/c1-6-8-5-16-7(2)11(17)15-12(16)14-10(8)4-3-9(6)13/h3-4,7H,5H2,1-2H3,(H,14,15,17)

InChIKey

IASFSCWLFJGXQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77448-87-4

CID: 135516730

Formula: C12H12BrN3O

MW: 294.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.15
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	293.01637
Monoisotopic Mass	293.01637
Topological Polar Surface Area	44.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	384
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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