Chemical ID: 7351376

c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccccc4Cl
Chemical ID:
7351376
Name [?]:
N-[(2-chlorophenyl)methyl]-2-phenyl-quinazolin-4-amine
SMILES [?]:
c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccccc4Cl
InChi [?]:
InChI=1/C21H16ClN3/c22-18-12-6-4-10-16(18)14-23-21-17-11-5-7-13-19(17)24-20(25-21)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,12,22,11,3,5,20,13,23,10,18,4,19,14,24,9,7,15,25,17,8,16/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16ClN3
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.3046
Area:557.492
Solvation:-1.63266
Coulombic:-28.6812
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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Descriptor Annotations

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