Chemical ID: 3940227

Cc1ccc(cc1)C(C(=O)NCc2cccs2)N(c3ccc(cc3)F)C(=O)c4cccs4
Chemical ID:
3940227
Name [?]:
N-(4-fluorophenyl)-N-[p-tolyl-(2-thienylmethylcarbamoyl)methyl]-thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)C(C(=O)NCc2cccs2)N(c3ccc(cc3)F)C(=O)c4cccs4
InChi [?]:
InChI=1/C25H21FN2O2S2/c1-17-6-8-18(9-7-17)23(24(29)27-16-21-4-2-14-31-21)28(20-12-10-19(26)11-13-20)25(30)22-5-3-15-32-22/h2-15,23H,16H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,15,30,14,29,3,7,4,6,21,23,20,24,16,31,12,2,5,22,19,13,28,8,9,26,25,11,18,10,27,17,32/E:(6,7)(8,9)(10,11)(12,13)/rA:32cCCCCCCCCCONCCCCCSNCCCCCCFCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s8;s18;s19;d20;s21;d22;d19s23;s22;s18;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21FN2O2S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.4481
Area:649.523
Solvation:-3.79001
Coulombic:-46.7091
Bond Count [?]
All:35
Single:23
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.577
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.28
LogP (Chemaxon):4.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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