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Chemical ID: 6851924
Chemical ID:
6851924
Name [?]:
N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-quinazolin-4-amine
SMILES [?]:
CN(Cc1ccccc1)c2c3ccccc3nc(n2)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C22H17Cl2N3/c1-27(14-15-7-3-2-4-8-15)22-18-9-5-6-10-20(18)25-21(26-22)17-12-11-16(23)13-19(17)24/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,13,14,5,9,12,15,22,21,24,3,4,23,20,11,25,16,18,10,27,26,17,19,2/E:(3,4)(7,8)/rA:27nCNCCCCCCCCCCCCCCNCNCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s18;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17Cl2N3 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7993 |
Area: | 586.771 |
Solvation: | -1.86998 |
Coulombic: | -23.2377 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.0 |
LogP (Chemaxon): | 7.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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