Chemical ID: 5378382

CCOc1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl
Chemical ID:
5378382
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILES [?]:
CCOc1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H17ClN4O3S2/c1-2-28-16-9-5-14(6-10-16)19-25-26-21(29-19)31-12-18(27)24-20-23-17(11-30-20)13-3-7-15(22)8-4-13/h3-11H,2,12H2,1H3,(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,26,30,6,8,27,29,5,9,23,16,25,7,28,4,22,17,10,20,13,31,21,19,11,12,18,3,14,24,15/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCCOCCCCCCCNNCOSCCONCNCCSCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;d12;s10s13;s13;s15;s16;d17;s17;s19;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN4O3S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.4564
Area:722.547
Solvation:-4.60726
Coulombic:-49.66
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:472.97
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.91
LogP (Chemaxon):5.18

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