Chemical ID: 6305834

Cc1ccc(c(c1)C)NC(=O)C23CC4CC(C2)CC(C4)(C3)n5cncn5
Chemical ID:
6305834
Name [?]:
N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C23CC4CC(C2)CC(C4)(C3)n5cncn5
InChi [?]:
InChI=1/C21H26N4O/c1-14-3-4-18(15(2)5-14)24-19(26)20-7-16-6-17(8-20)10-21(9-16,11-20)25-13-22-12-23-25/h3-5,12-13,16-17H,6-11H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,7,15,13,17,20,18,21,25,23,2,6,14,16,5,10,12,19,24,26,9,22,11/E:(7,8)(9,10)(16,17)/rA:26cCCCCCCCCNCOCCCCCCCCCCNCNCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s19;s22;d23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.2954
Area:537.958
Solvation:-3.15358
Coulombic:-30.755
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.457
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.17
LogP (Chemaxon):2.72

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Descriptor Annotations

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