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Chemical ID: 4684786
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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