Chemical ID: 5652598

CCc1n[nH]c(=NC(=O)Nc2ccc(cc2)OCC)s1
Chemical ID:
5652598
Name [?]:
3-(4-ethoxyphenyl)-1-(5-ethyl-3H-1,3,4-thiadiazol-2-ylidene)-urea
SMILES [?]:
CCc1n[nH]c(=NC(=O)Nc2ccc(cc2)OCC)s1
InChi [?]:
InChI=1/C13H16N4O2S/c1-3-11-16-17-13(20-11)15-12(18)14-9-5-7-10(8-6-9)19-4-2/h5-8H,3-4H2,1-2H3,(H2,14,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,2,18,12,16,13,15,11,14,3,8,6,10,7,4,5,9,17,20/E:(5,6)(7,8)/rA:20nCCCNNCNCONCCCCCCOCCS/rB:s1;s2;d3;s4;s5;w6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N4O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.89596
Area:502.718
Solvation:-2.67198
Coulombic:-48.0494
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:292.358
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.1
LogP (Chemaxon):3.32

Name Annotations

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Descriptor Annotations

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