TLR7 agonist 1 5mg

CAT: 0628-A19201-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A19201-5Size:5 mg

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CAS Number

2178156-33-5

Chemical Information

TLR7 agonist 1

CAS Number	2178156-33-5
PubChem CID	137628641
IUPAC Name	2-amino-4-(butylamino)-N-[(1S)-1-phenylethyl]quinazoline-5-carboxamide
Molecular Formula	C21H25N5O
Molecular Weight	363.5
XLogP	3.9
Topological Polar Surface Area	92.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	467

SMILES

CCCCNC1=NC(=NC2=CC=CC(=C21)C(=O)N[C@@H](C)C3=CC=CC=C3)N

InChI

InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1

InChIKey

WDFAZLUMAXOURM-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 2178156-33-5

CID: 137628641

Formula: C21H25N5O

MW: 363.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	363.5
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	363.20591044
Monoisotopic Mass	363.20591044
Topological Polar Surface Area	92.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	467
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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TLR7 agonist 1 5mg

Chemical Information

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