Chemical ID: 4105589

c1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccccc4Cl
Chemical ID:
4105589
Name [?]:
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccccc4Cl
InChi [?]:
InChI=1/C19H13ClN4O2S2/c20-14-9-5-4-8-13(14)17-23-24-19(26-17)28-11-16(25)22-18-21-15(10-27-18)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,25,3,5,23,26,8,15,4,22,27,7,13,20,10,17,28,11,12,19,18,14,21,9,16/E:(2,3)(6,7)/rA:28nCCCCCCCCSCNNCOCSCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13ClN4O2S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.7898
Area:646.845
Solvation:-3.38135
Coulombic:-43.2619
Bond Count [?]
All:31
Single:20
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:428.917
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.57
LogP (Chemaxon):5.09

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue