Chemical ID: 5881049

CCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)c3ccc(cc3)CC
Chemical ID:
5881049
Name [?]:
N-butyl-4-ethyl-N-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)c3ccc(cc3)CC
InChi [?]:
InChI=1/C29H38N4O2/c1-7-9-18-32(28(35)23-16-14-22(8-2)15-17-23)20-27(34)30-26-19-25(29(4,5)6)31-33(26)24-13-11-10-12-21(24)3/h10-17,19H,7-9,18,20H2,1-6H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,35,21,23,24,25,2,34,3,18,17,19,16,30,32,29,33,4,11,6,20,31,28,15,12,10,7,26,22,9,13,5,14,8,27/E:(4,5,6)(14,15)(16,17)/rA:35nCCCCNCCONCCCNNCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s12;s22;s22;s22;s5;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N4O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.4052
Area:760.799
Solvation:-3.61481
Coulombic:-46.1023
Bond Count [?]
All:37
Single:27
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:474.638
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.31
LogP (Chemaxon):6.74

Name Annotations

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Descriptor Annotations

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