Chemical ID: 5880871

CCCCN(CC(=O)Nc1cc(nn1c2cccc(c2)C)C(C)(C)C)C(=O)Cc3ccc(cc3)OC
Chemical ID:
5880871
Name [?]:
2-[butyl-[2-(4-methoxyphenyl)acetyl]-amino]-N-[2-(m-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2cccc(c2)C)C(C)(C)C)C(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C29H38N4O3/c1-7-8-16-32(28(35)18-22-12-14-24(36-6)15-13-22)20-27(34)30-26-19-25(29(3,4)5)31-33(26)23-11-9-10-21(2)17-23/h9-15,17,19H,7-8,16,18,20H2,1-6H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,21,23,24,25,36,2,3,17,18,16,30,34,31,33,4,20,28,11,6,19,29,15,32,12,10,7,26,22,9,13,5,14,8,27,35/E:(3,4,5)(12,13)(14,15)/rA:36nCCCCNCCONCCCNNCCCCCCCCCCCCOCCCCCCCOC/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;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.2538
Area:796.277
Solvation:-5.65308
Coulombic:-50.2602
Bond Count [?]
All:38
Single:28
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:490.637
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.34
LogP (Chemaxon):5.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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