Chemical ID: 4600994

c1ccc(cc1)CNc2c3ccccc3nc(n2)c4ccc(c(c4)Cl)Cl
Chemical ID:
4600994
Name [?]:
N-benzyl-2-(3,4-dichlorophenyl)-quinazolin-4-amine
SMILES [?]:
c1ccc(cc1)CNc2c3ccccc3nc(n2)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C21H15Cl2N3/c22-17-11-10-15(12-18(17)23)20-25-19-9-5-4-8-16(19)21(26-20)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,20,21,24,7,4,19,10,22,23,15,17,9,26,25,8,16,18/E:(2,3)(6,7)/rA:26nCCCCCCCNCCCCCCCNCNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s17;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15Cl2N3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.2399
Area:592.899
Solvation:-1.58253
Coulombic:-28.5202
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.269
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.44
LogP (Chemaxon):6.44

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