Chemical ID: 5520352

Cc1ccc(cc1)c2csc(n2)NC(=O)CCNC(=O)c3ccco3
Chemical ID:
5520352
Name [?]:
N-[2-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]ethyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)CCNC(=O)c3ccco3
InChi [?]:
InChI=1/C18H17N3O3S/c1-12-4-6-13(7-5-12)14-11-25-18(20-14)21-16(22)8-9-19-17(23)15-3-2-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,3,7,4,6,16,17,24,9,2,5,8,21,14,19,11,18,12,13,15,20,25,10/E:(4,5)(6,7)/rA:25nCCCCCCCCCSCNNCOCCNCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6559
Area:590.129
Solvation:-4.09727
Coulombic:-56.1751
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.412
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):2.97

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