EBOV-IN-1

CAT: 0607-BA1649-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1649-1Size:1 mg

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

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CAS Number

1335113-30-8

Form

A solid

Molecular Formula

C34H43N3O5

Molecular Weight

573.72

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ebov-IN-1

CAS Number	1335113-30-8
PubChem CID	71254944
IUPAC Name	methyl 4-[[2-[[4-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperazin-1-yl]methyl]phenoxy]methyl]benzoate
Molecular Formula	C34H43N3O5
Molecular Weight	573.7
XLogP	5.1
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	42
Formal Charge	0
Complexity	914

SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2CN3CCN(CC3)C(=O)CNC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H43N3O5/c1-41-33(40)28-8-6-24(7-9-28)23-42-30-5-3-2-4-29(30)22-36-10-12-37(13-11-36)32(39)21-35-31(38)20-34-17-25-14-26(18-34)16-27(15-25)19-34/h2-9,25-27H,10-23H2,1H3,(H,35,38)

InChIKey

KSISWIVDFITFKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1335113-30-8

CID: 71254944

Formula: C34H43N3O5

MW: 573.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	573.7
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	573.32027148
Monoisotopic Mass	573.32027148
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	914
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

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EBOV-IN-1

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