Chemical ID: 7355779

c1ccc(cc1)c2nc3ccccc3c(n2)NCc4cccs4
Chemical ID:
7355779
Name [?]:
2-phenyl-N-(2-thienylmethyl)quinazolin-4-amine
SMILES [?]:
c1ccc(cc1)c2nc3ccccc3c(n2)NCc4cccs4
InChi [?]:
InChI=1/C19H15N3S/c1-2-7-14(8-3-1)18-21-17-11-5-4-10-16(17)19(22-18)20-13-15-9-6-12-23-15/h1-12H,13H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,21,3,5,20,13,10,22,18,4,19,14,9,7,15,17,8,16,23/E:(2,3)(7,8)/rA:23nCCCCCCCNCCCCCCCNNCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s11;d12;s9s13;d14;d7s15;s15;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3S
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.5882
Area:530.594
Solvation:-1.67664
Coulombic:-27.8501
Bond Count [?]
All:26
Single:16
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.409
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.26
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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