LDC7559

CAT: 0127-BUP05490-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05490-04Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2407782-01-6

Purity

=98%

Smiles

COc1ccccc1-c1cc2COc3cc(NC(C)=O)ccc3Cn2n1

Chemical Information

N-(2-(2-Methoxyphenyl)-4,10-dihydrobenzo[f]pyrazolo[5,1-c][1,4]oxazepin-7-yl)acetamide

CAS Number	2407782-01-6
PubChem CID	138319675
IUPAC Name	N-[2-(2-methoxyphenyl)-4,10-dihydropyrazolo[5,1-c][1,4]benzoxazepin-7-yl]acetamide
Molecular Formula	C20H19N3O3
Molecular Weight	349.4
XLogP	2.2
Topological Polar Surface Area	65.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	503

SMILES

CC(=O)NC1=CC2=C(CN3C(=CC(=N3)C4=CC=CC=C4OC)CO2)C=C1

InChI

InChI=1S/C20H19N3O3/c1-13(24)21-15-8-7-14-11-23-16(12-26-20(14)9-15)10-18(22-23)17-5-3-4-6-19(17)25-2/h3-10H,11-12H2,1-2H3,(H,21,24)

InChIKey

IFOIINXSFCQLOV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2407782-01-6

CID: 138319675

Formula: C20H19N3O3

MW: 349.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.4
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	349.14264148
Monoisotopic Mass	349.14264148
Topological Polar Surface Area	65.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	503
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

Catalog	Name
BA3490-1	LDC7559