Chemical ID: 7446405

COc1cccc(c1)C(=O)NC(=O)Nc2ccc(cc2)c3cc(nn3c4ccccc4)C(F)(F)F
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

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Descriptor Annotations

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