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SBI-797812 5mg

CAT: 0628-A19058-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19058-5Size:5 mg
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CAS Number
2237268-08-3

Chemical Information

1-(4-((8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)sulfonyl)phenyl)-3-(pyridin-4-ylmethyl)urea
CAS Number2237268-08-3
PubChem CID135222620
IUPAC Name1-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]-3-(pyridin-4-ylmethyl)urea
Molecular FormulaC19H22N4O4S
Molecular Weight402.5
XLogP0.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity627
SMILES
C1CC2CN(CC1O2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4
InChI
InChI=1S/C19H22N4O4S/c24-19(21-11-14-7-9-20-10-8-14)22-15-1-5-18(6-2-15)28(25,26)23-12-16-3-4-17(13-23)27-16/h1-2,5-10,16-17H,3-4,11-13H2,(H2,21,22,24)
InChIKey
KTSOHNHLOLGQCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-((8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)sulfonyl)phenyl)-3-(pyridin-4-ylmethyl)urea
CAS: 2237268-08-3
CID: 135222620
Formula: C19H22N4O4S
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass402.13617637
Monoisotopic Mass402.13617637
Topological Polar Surface Area109 Ų
Heavy Atom Count28
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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