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Chemical ID: 7355779
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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