Chemical ID: 5882016

CC(C)CN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)c3cccc4c3cccc4
Chemical ID:
5882016
Name [?]:
N-isobutyl-N-[(2-phenyl-5-tert-butyl-pyrazol-3-yl)carbamoylmethyl]naphthalene-1-carboxamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C30H34N4O2/c1-21(2)19-33(29(36)25-17-11-13-22-12-9-10-16-24(22)25)20-28(35)31-27-18-26(30(3,4)5)32-34(27)23-14-7-6-8-15-23/h6-18,21H,19-20H2,1-5H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,24,18,17,19,35,34,29,36,30,16,20,33,28,11,4,6,2,31,15,32,27,12,10,7,25,21,9,13,5,14,8,26/E:(1,2)(3,4,5)(7,8)(14,15)/rA:36nCCCCNCCONCCCNNCCCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s12;s21;s21;s21;s5;d25;s25;s27;d28;s29;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H34N4O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.3505
Area:738.084
Solvation:-4.10161
Coulombic:-46.4496
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:482.617
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.17
LogP (Chemaxon):6.41

Name Annotations

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Descriptor Annotations

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