Chemical ID: 5884253

CCCCC(CC)C(=O)N(CCCOC)CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C
Chemical ID:
5884253
Name [?]:
2-ethyl-N-(3-methoxypropyl)-N-[[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCCOC)CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C
InChi [?]:
InChI=1/C28H44N4O3/c1-8-10-12-22(9-2)27(34)31(17-11-18-35-7)20-26(33)29-25-19-24(28(4,5)6)30-32(25)23-15-13-21(3)14-16-23/h13-16,19,22H,8-12,17-18,20H2,1-7H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,7,31,33,34,35,15,2,6,3,12,4,27,29,26,30,11,13,21,16,28,5,25,22,20,17,8,32,19,23,10,24,18,9,14/E:(4,5,6)(13,14)(15,16)/rA:35cCCCCCCCCONCCCOCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s14;s10;s16;d17;s17;s19;d20;s21;d22;s20s23;s24;s25;d26;s27;d28;d25s29;s28;s22;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H44N4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.6416
Area:806.051
Solvation:-5.50967
Coulombic:-50.8861
Bond Count [?]
All:36
Single:29
Double:7
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:484.674
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.54
LogP (Chemaxon):5.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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