Chemical ID: 5880694

CCCCN(CC(=O)Nc1cc(nn1c2cccc(c2)C)C(C)(C)C)C(=O)CCC3CCCC3
Chemical ID:
5880694
Name [?]:
N-butyl-3-cyclopentyl-N-[[2-(m-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]propanamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2cccc(c2)C)C(C)(C)C)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C28H42N4O2/c1-6-7-17-31(27(34)16-15-22-12-8-9-13-22)20-26(33)29-25-19-24(28(3,4)5)30-32(25)23-14-10-11-21(2)18-23/h10-11,14,18-19,22H,6-9,12-13,15-17,20H2,1-5H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,21,23,24,25,2,3,32,33,17,18,31,34,16,29,28,4,20,11,6,19,30,15,12,10,7,26,22,9,13,5,14,8,27/E:(3,4,5)(8,9)(12,13)/rA:34nCCCCNCCONCCCNNCCCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s19;s12;s22;s22;s22;s5;d26;s26;s28;s29;s30;s31;s32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H42N4O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:15.6707
Area:778.079
Solvation:-3.78125
Coulombic:-43.7281
Bond Count [?]
All:36
Single:29
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:466.659
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.6
LogP (Chemaxon):6.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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