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Chemical ID: 7446405
Chemical ID:
7446405
Name [?]:
3-methoxy-N-[[4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]carbamoyl]benzamide
SMILES [?]:
COc1cccc(c1)C(=O)NC(=O)Nc2ccc(cc2)c3cc(nn3c4ccccc4)C(F)(F)F
InChi [?]:
InChI=1/C25H19F3N4O3/c1-35-20-9-5-6-17(14-20)23(33)30-24(34)29-18-12-10-16(11-13-18)21-15-22(25(26,27)28)31-32(21)19-7-3-2-4-8-19/h2-15H,1H3,(H2,29,30,33,34)
InChi Info:
AuxInfo=1/1/N:1,29,28,30,5,6,27,31,4,17,19,16,20,8,22,18,7,15,26,3,21,23,9,12,32,33,34,35,14,11,24,25,10,13,2/E:(3,4)(7,8)(10,11)(12,13)(26,27,28)/rA:35nCOCCCCCCCONCONCCCCCCCCCNNCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s22;d23;s21s24;s25;s26;d27;s28;d29;d26s30;s23;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19F3N4O3 |
All Atoms: | 54 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4675 |
Area: | 685.066 |
Solvation: | -6.65912 |
Coulombic: | -74.8045 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 480.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.36 |
LogP (Chemaxon): | 5.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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