BI-2865 50mg

CAT: 0628-A24530-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A24530-50Size:50 mg

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CAS Number

2937327-93-8

Chemical Information

CID 168268166

CAS Number	2937327-93-8
PubChem CID	168268166
IUPAC Name	(4S)-2-amino-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
Molecular Formula	C23H27N7O2S
Molecular Weight	465.6
XLogP	4.1
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	752

SMILES

C[C@@H]([C@@H]1CCCN1C)OC2=NC(=NC=C2)C3=NOC(=N3)[C@]4(CCCC5=C4C(=C(S5)N)C#N)C

InChI

InChI=1S/C23H27N7O2S/c1-13(15-6-5-11-30(15)3)31-17-8-10-26-20(27-17)21-28-22(32-29-21)23(2)9-4-7-16-18(23)14(12-24)19(25)33-16/h8,10,13,15H,4-7,9,11,25H2,1-3H3/t13-,15-,23-/m0/s1

InChIKey

MIUFORKWYHBPRW-HMFCALDFSA-N

Chemical Structure

2D Structure

CAS: 2937327-93-8

CID: 168268166

Formula: C23H27N7O2S

MW: 465.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	465.6
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	465.19469430
Monoisotopic Mass	465.19469430
Topological Polar Surface Area	155 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	752
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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