Enpp-1-IN-14

CAT: 0607-BA8154-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8154-10Size:10 mg

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

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CAS Number

2687222-59-7

Form

A solid

Molecular Formula

C15H22ClN5O4S

Molecular Weight

403.88

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Enpp-1-IN-14

CAS Number	2687222-59-7
PubChem CID	156824020
IUPAC Name	4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepane-1-sulfonamide;hydrochloride
Molecular Formula	C15H22ClN5O4S
Molecular Weight	403.9
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	543

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCN(CC3)S(=O)(=O)N)OC.Cl

InChI

InChI=1S/C15H21N5O4S.ClH/c1-23-13-8-11-12(9-14(13)24-2)17-10-18-15(11)19-4-3-5-20(7-6-19)25(16,21)22;/h8-10H,3-7H2,1-2H3,(H2,16,21,22);1H

InChIKey

QUKMVZAYVWFICZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2687222-59-7

CID: 156824020

Formula: C15H22ClN5O4S

MW: 403.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	403.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	403.1081031
Monoisotopic Mass	403.1081031
Topological Polar Surface Area	119 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	543
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	2
Compound Is Canonicalized	Yes