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UNC9975

CAT: 0127-BUP03820-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03820-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1354030-19-5
Synonyms
UNC 9975, UNC-9975
Purity
=98%
Smiles
O=C1N=C2NC(OCCCCN3CCN(C=4C=CC=C(Cl)C4Cl)CCC3)=CC=C2CC1

Chemical Information

Unc9975
CAS Number1354030-19-5
PubChem CID56593482
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
Molecular FormulaC23H28Cl2N4O2
Molecular Weight463.4
XLogP4.6
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity584
SMILES
C1CN(CCN(C1)C2=C(C(=CC=C2)Cl)Cl)CCCCOC3=NC4=C(CCC(=O)N4)C=C3
InChI
InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
InChIKey
JQSRFMXTGAVHIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unc9975
CAS: 1354030-19-5
CID: 56593482
Formula: C23H28Cl2N4O2
MW: 463.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass462.1589315
Monoisotopic Mass462.1589315
Topological Polar Surface Area57.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T29064-01UNC9975

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