Chemical ID: 4669991

CC(C)C(NC(=O)OCc1ccccc1)n2cncn2
Chemical ID:
4669991
Name [?]:
benzyl [2-methyl-1-(1,2,4-triazol-1-yl)propyl]aminoformate
SMILES [?]:
CC(C)C(NC(=O)OCc1ccccc1)n2cncn2
InChi [?]:
InChI=1/C14H18N4O2/c1-11(2)13(18-10-15-9-16-18)17-14(19)20-8-12-6-4-3-5-7-12/h3-7,9-11,13H,8H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,12,14,11,15,9,19,17,2,10,4,6,18,20,5,16,7,8/E:(1,2)(4,5)(6,7)/rA:20cCCCCNCOOCCCCCCCNCNCN/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s18;s16d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N4O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.34379
Area:481.361
Solvation:-2.69023
Coulombic:-45.345
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.318
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.37
LogP (Chemaxon):2.4

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