Chemical ID: 7266227

c1ccc2c(c1)c(nc(n2)c3cccnc3)NCc4cccs4
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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Descriptor Annotations

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