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Chemical ID: 7344675
Chemical ID:
7344675
Name [?]:
N-[(3-chlorophenyl)methyl]-2-phenyl-quinazolin-4-amine
SMILES [?]:
c1ccc(cc1)c2nc3ccccc3c(n2)NCc4cccc(c4)Cl
InChi [?]:
InChI=1/C21H16ClN3/c22-17-10-6-7-15(13-17)14-23-21-18-11-4-5-12-19(18)24-20(25-21)16-8-2-1-3-9-16/h1-13H,14H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,21,20,3,5,22,13,10,24,18,19,4,23,14,9,7,15,25,17,8,16/E:(2,3)(8,9)/rA:25nCCCCCCCNCCCCCCCNNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s11;d12;s9s13;d14;d7s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16ClN3 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6249 |
Area: | 568.561 |
Solvation: | -1.58913 |
Coulombic: | -28.6334 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 345.825 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.82 |
LogP (Chemaxon): | 5.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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