Chemical ID: 4926817

CC(=O)OC(Cn1cncn1)(Cn2cncn2)c3ccc(cc3Cl)Cl
Chemical ID:
4926817
Name [?]:
[1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)ethyl] acetate
SMILES [?]:
CC(=O)OC(Cn1cncn1)(Cn2cncn2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C15H14Cl2N6O2/c1-11(24)25-15(5-22-9-18-7-20-22,6-23-10-19-8-21-23)13-3-2-12(16)4-14(13)17/h2-4,7-10H,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,22,6,12,10,16,8,14,2,21,18,23,5,25,24,9,15,11,17,7,13,3,4/E:(5,6)(7,8)(9,10)(18,19)(20,21)(22,23)/rA:25nCCOOCCNCNCNCNCNCNCCCCCCClCl/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;s7d10;s5;s12;s13;d14;s15;s13d16;s5;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14Cl2N6O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.30723
Area:497.504
Solvation:-4.13036
Coulombic:-36.2058
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.216
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.05
LogP (Chemaxon):1.15

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