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Chemical ID: 5884856
Chemical ID:
5884856
Name [?]:
4-ethyl-N-isopropyl-N-[(2-phenyl-5-tert-butyl-pyrazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC(=O)Nc2cc(nn2c3ccccc3)C(C)(C)C)C(C)C
InChi [?]:
InChI=1/C27H34N4O2/c1-7-20-13-15-21(16-14-20)26(33)30(19(2)3)18-25(32)28-24-17-23(27(4,5)6)29-31(24)22-11-9-8-10-12-22/h8-17,19H,7,18H2,1-6H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,32,33,28,29,30,2,24,23,25,22,26,4,8,5,7,17,12,31,3,6,21,18,16,13,9,27,15,19,11,20,14,10/E:(2,3)(4,5,6)(9,10)(11,12)(13,14)(15,16)/rA:33nCCCCCCCCCONCCONCCCNNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s20;s21;d22;s23;d24;d21s25;s18;s27;s27;s27;s11;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H34N4O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.9461 |
Area: | 702.373 |
Solvation: | -3.61321 |
Coulombic: | -45.624 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 446.585 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.61 |
LogP (Chemaxon): | 5.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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