Chemical ID: 5883491

CC(C)CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)NCc3ccccc3
Chemical ID:
5883491
Name [?]:
2-(benzylcarbamoyl-isopentyl-amino)-N-[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CC(C)CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C29H39N5O3/c1-21(2)16-17-33(28(36)30-19-22-10-8-7-9-11-22)20-27(35)31-26-18-25(29(3,4)5)32-34(26)23-12-14-24(37-6)15-13-23/h7-15,18,21H,16-17,19-20H2,1-6H3,(H,30,36)(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,27,23,35,34,36,33,37,17,21,18,20,4,5,12,31,7,2,32,16,19,13,11,8,28,24,30,10,14,6,15,9,29,22/E:(1,2)(3,4,5)(8,9)(10,11)(12,13)(14,15)/rA:37nCCCCCNCCONCCCNNCCCCCCOCCCCCCONCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s13;s24;s24;s24;s6;d28;s28;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H39N5O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:15.3589
Area:821.23
Solvation:-5.17184
Coulombic:-65.6463
Bond Count [?]
All:39
Single:29
Double:10
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:505.652
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.24
LogP (Chemaxon):5.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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