Chemical ID: 4607169

CS(=O)(=O)OCC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Cl
Chemical ID:
4607169
Name [?]:
1-[[2-(2,4-dichlorophenyl)-4-(methylsulfonyloxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
SMILES [?]:
CS(=O)(=O)OCC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,22,8,6,12,16,14,21,7,18,23,10,25,24,15,17,13,3,4,9,5,11,2/E:(20,21)/CRV:25.6/rA:25cCSOOOCCCOCOCNCNCNCCCCCCClCl/rB:s1;d2;d2;s2;s5;s6;s7;s8;s9;s7s10;s10;s12;s13;d14;s15;s13d16;s10;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15Cl2N3O5S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:7.35913
Area:548.439
Solvation:-6.35184
Coulombic:-32.8991
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:408.258
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.47
LogP (Chemaxon):2.15

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