Chemical ID: 5982625

COc1ccc(cc1)n2c(cc(n2)c3cccc(c3)OC)C(=O)NC(c4ccccc4)c5ccccc5
Chemical ID:
5982625
Name [?]:
N-benzhydryl-5-(3-methoxyphenyl)-2-(4-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
COc1ccc(cc1)n2c(cc(n2)c3cccc(c3)OC)C(=O)NC(c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C31H27N3O3/c1-36-26-18-16-25(17-19-26)34-29(21-28(33-34)24-14-9-15-27(20-24)37-2)31(35)32-30(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-21,30H,1-2H3,(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,21,29,35,28,30,34,36,16,27,31,33,37,15,17,5,7,4,8,19,11,26,32,14,6,3,18,12,10,25,22,24,13,9,23,2,20/E:(3,4)(5,6,7,8)(10,11,12,13)(16,17)(18,19)(22,23)/rA:37nCOCCCCCCNCCCNCCCCCCOCCONCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s10;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s25;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H27N3O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.6953
Area:754.257
Solvation:-6.16111
Coulombic:-45.513
Bond Count [?]
All:41
Single:26
Double:15
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:489.565
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.55
LogP (Chemaxon):5.87

Name Annotations

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Descriptor Annotations

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