Chemical ID: 5882023

CCc1ccc(cc1)C(=O)N(CC(C)C)CC(=O)Nc2cc(nn2c3ccccc3)C(C)(C)C
Chemical ID:
5882023
Name [?]:
4-ethyl-N-isobutyl-N-[(2-phenyl-5-tert-butyl-pyrazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC(C)C)CC(=O)Nc2cc(nn2c3ccccc3)C(C)(C)C
InChi [?]:
InChI=1/C28H36N4O2/c1-7-21-13-15-22(16-14-21)27(34)31(18-20(2)3)19-26(33)29-25-17-24(28(4,5)6)30-32(25)23-11-9-8-10-12-23/h8-17,20H,7,18-19H2,1-6H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,14,15,32,33,34,2,28,27,29,26,30,4,8,5,7,21,12,16,13,3,6,25,22,20,17,9,31,19,23,11,24,18,10/E:(2,3)(4,5,6)(9,10)(11,12)(13,14)(15,16)/rA:34nCCCCCCCCCONCCCCCCONCCCNNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s13;s11;s16;d17;s17;s19;d20;s21;d22;s20s23;s24;s25;d26;s27;d28;d25s29;s22;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36N4O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.4735
Area:731.238
Solvation:-3.80748
Coulombic:-45.7203
Bond Count [?]
All:36
Single:26
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:460.611
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.81
LogP (Chemaxon):6.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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