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Chemical ID: 5882403
Chemical ID:
5882403
Name [?]:
N-ethyl-4-methyl-N-[[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C26H32N4O2/c1-7-29(25(32)20-12-8-18(2)9-13-20)17-24(31)27-23-16-22(26(4,5)6)28-30(23)21-14-10-19(3)11-15-21/h8-16H,7,17H2,1-6H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,32,19,21,22,23,2,28,30,15,17,27,31,14,18,9,4,29,16,26,13,10,8,5,24,20,7,11,3,12,6,25/E:(4,5,6)(8,9)(10,11)(12,13)(14,15)/rA:32nCCNCCONCCCNNCCCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s10;s20;s20;s20;s3;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N4O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4882 |
Area: | 689.523 |
Solvation: | -3.74986 |
Coulombic: | -44.7551 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 432.558 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.13 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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