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Chemical ID: 7351376
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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Experimental Annotations
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Descriptor Annotations
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