Chemical ID: 4684786

c1ccc(cc1)CN(Cc2ccccc2)Cn3nc4ccccc4n3
Chemical ID:
4684786
Name [?]:
N-(benzotriazol-2-ylmethyl)-N-benzyl-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)Cn3nc4ccccc4n3
InChi [?]:
InChI=1/C21H20N4/c1-3-9-18(10-4-1)15-24(16-19-11-5-2-6-12-19)17-25-22-20-13-7-8-14-21(20)23-25/h1-14H,15-17H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,21,22,3,5,11,15,20,23,7,9,16,4,10,19,24,18,25,8,17/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(18,19)(20,21)(22,23)/rA:25nCCCCCCCNCCCCCCCCNNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;s17;d18;s19;d20;s21;d22;s19s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6911
Area:547.205
Solvation:-2.98898
Coulombic:-13.7284
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.41
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.04
LogP (Chemaxon):5.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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