NPD6433

CAT: 1596-AR-N08974-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N08974-02Size:25 Units

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

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CAS Number

895908-81-3

Molecular Formula

C21H21N5O3

Molecular Weight

391.43

API Name

Npd6433

Chemical Information

Methyl 3-((E)-((1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)diazenyl)-1H-indole-2-carboxylate

CAS Number	895908-81-3
PubChem CID	136918304
IUPAC Name	methyl 3-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]diazenyl]-1H-indole-2-carboxylate
Molecular Formula	C21H21N5O3
Molecular Weight	391.4
XLogP	3.3
Topological Polar Surface Area	90.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	778

SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)N=NN3C[C@@H]4C[C@H](C3)C5=CC=CC(=O)N5C4

InChI

InChI=1S/C21H21N5O3/c1-29-21(28)20-19(15-5-2-3-6-16(15)22-20)23-24-25-10-13-9-14(12-25)17-7-4-8-18(27)26(17)11-13/h2-8,13-14,22H,9-12H2,1H3/t13-,14+/m0/s1

InChIKey

IXWNPEOFLGJGLY-UONOGXRCSA-N

Chemical Structure

2D Structure

CAS: 895908-81-3

CID: 136918304

Formula: C21H21N5O3

MW: 391.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	391.4
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	391.16443955
Monoisotopic Mass	391.16443955
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	778
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-167879A	NPD6433
HY-167879	(Rac) -NPD6433

NPD6433

Chemical Information

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