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Chemical ID: 5886970

Cc1ccc(cc1)C(=O)N(Cc2ccccc2)CC(=O)Nc3cc(nn3c4ccccc4C)C(C)(C)C

Chemical ID:

5886970

Name [?]:

N-benzyl-4-methyl-N-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(Cc2ccccc2)CC(=O)Nc3cc(nn3c4ccccc4C)C(C)(C)C

InChi [?]:

InChI=1/C31H34N4O2/c1-22-15-17-25(18-16-22)30(37)34(20-24-12-7-6-8-13-24)21-29(36)32-28-19-27(31(3,4)5)33-35(28)26-14-10-9-11-23(26)2/h6-19H,20-21H2,1-5H3,(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,33,35,36,37,15,14,16,30,29,31,13,17,28,3,7,4,6,23,11,18,2,32,12,5,27,24,22,19,8,34,21,25,10,26,20,9/E:(3,4,5)(7,8)(12,13)(15,16)(17,18)/rA:37nCCCCCCCCONCCCCCCCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s19;s21;d22;s23;d24;s22s25;s26;s27;d28;s29;d30;d27s31;s32;s24;s34;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₄N₄O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	14.9007
Area:	756.328
Solvation:	-4.00745
Coulombic:	-46.468

Bond Count [?]

All:	40
Single:	27
Double:	13
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	494.627
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.2
LogP (Chemaxon):	6.91

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value