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Chemical ID: 5972401
Chemical ID:
5972401
Name [?]:
5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
SMILES [?]:
Cc1c(cc(n1c2cccc(c2)F)c3ccc(cc3)Cl)C(=O)NCc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C26H19ClF4N2O/c1-16-23(25(34)32-15-17-4-2-5-19(12-17)26(29,30)31)14-24(18-8-10-20(27)11-9-18)33(16)22-7-3-6-21(28)13-22/h2-14H,15H2,1H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,27,9,26,28,10,8,15,19,16,18,30,12,4,24,2,25,14,29,17,11,7,3,5,21,31,20,13,32,33,34,23,6,22/E:(8,9)(10,11)(29,30,31)/rA:34nCCCCCNCCCCCCFCCCCCCClCONCCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;s5;s14;d15;s16;d17;d14s18;s17;s3;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s29;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H19ClF4N2O |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.205 |
Area: | 683.693 |
Solvation: | -3.88736 |
Coulombic: | -53.1372 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 486.888 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.62 |
LogP (Chemaxon): | 6.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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