Chemical ID: 5191900

CC(C)CN(c1nnc(s1)c2ccc(cc2)F)C(=O)COc3ccc(cc3)Cl
Chemical ID:
5191900
Name [?]:
2-(4-chlorophenoxy)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-isobutyl-acetamide
SMILES [?]:
CC(C)CN(c1nnc(s1)c2ccc(cc2)F)C(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClFN3O2S/c1-13(2)11-25(18(26)12-27-17-9-5-15(21)6-10-17)20-24-23-19(28-20)14-3-7-16(22)8-4-14/h3-10,13H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,16,24,26,13,15,23,27,4,20,2,11,25,14,22,18,9,6,28,17,8,7,5,19,21,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCNCNNCSCCCCCCFCOCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s14;s5;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClFN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7552
Area:628.816
Solvation:-4.96519
Coulombic:-34.7171
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:419.901
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.86
LogP (Chemaxon):4.73

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Descriptor Annotations

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