Chemical ID: 7344675

c1ccc(cc1)c2nc3ccccc3c(n2)NCc4cccc(c4)Cl
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

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Descriptor Annotations

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