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Chemical ID: 5520352
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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