Chemical ID: 5882008

CC(C)CN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)c3ccc(cc3)Cl
Chemical ID:
5882008
Name [?]:
4-chloro-N-isobutyl-N-[(2-phenyl-5-tert-butyl-pyrazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H31ClN4O2/c1-18(2)16-30(25(33)19-11-13-20(27)14-12-19)17-24(32)28-23-15-22(26(3,4)5)29-31(23)21-9-7-6-8-10-21/h6-15,18H,16-17H2,1-5H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,24,18,17,19,16,20,28,32,29,31,11,4,6,2,27,30,15,12,10,7,25,21,33,9,13,5,14,8,26/E:(1,2)(3,4,5)(7,8)(9,10)(11,12)(13,14)/rA:33nCCCCNCCONCCCNNCCCCCCCCCCCOCCCCCCCl/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;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31ClN4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.1223
Area:717.631
Solvation:-3.8185
Coulombic:-45.7838
Bond Count [?]
All:35
Single:25
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:467.003
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.53
LogP (Chemaxon):5.93

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Descriptor Annotations

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