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Chemical ID: 7266227
Chemical ID:
7266227
Name [?]:
2-(3-pyridyl)-N-(2-thienylmethyl)quinazolin-4-amine
SMILES [?]:
c1ccc2c(c1)c(nc(n2)c3cccnc3)NCc4cccs4
InChi [?]:
InChI=1/C18H14N4S/c1-2-8-16-15(7-1)18(20-12-14-6-4-10-23-14)22-17(21-16)13-5-3-9-19-11-13/h1-11H,12H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,13,21,12,20,6,3,14,22,16,18,11,19,5,4,9,7,15,17,10,8,23/rA:23nCCCCCCCNCNCCCCNCNCCCCCS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s7;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N4S |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0368 |
Area: | 528.017 |
Solvation: | -2.16364 |
Coulombic: | -30.7612 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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