WAY-151932

CAT: 0607-BA5836-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5836-1Size:1 mg

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CAS Number

220460-92-4

Form

A solid

Molecular Formula

C23H19ClN4O

Molecular Weight

402.88

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Way-151932

structure in first source

CAS Number	220460-92-4
PubChem CID	5311500
IUPAC Name	[2-chloro-4-(3-methylpyrazol-1-yl)phenyl]-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
Molecular Formula	C23H19ClN4O
Molecular Weight	402.9
XLogP	3.9
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	603

SMILES

CC1=NN(C=C1)C2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl

InChI

InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3

InChIKey

JXKQHDZUZGKDGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220460-92-4

CID: 5311500

Formula: C23H19ClN4O

MW: 402.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	402.9
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	402.1247389
Monoisotopic Mass	402.1247389
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	603
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