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Chemical ID: 5882717

CCCCN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)Nc3ccccc3Br

Chemical ID:

5882717

Name [?]:

2-[(2-bromophenyl)carbamoyl-butyl-amino]-N-(2-phenyl-5-tert-butyl-pyrazol-3-yl)-acetamide

SMILES [?]:

CCCCN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)Nc3ccccc3Br

InChi [?]:

InChI=1/C26H32BrN5O2/c1-5-6-16-31(25(34)28-21-15-11-10-14-20(21)27)18-24(33)29-23-17-22(26(2,3)4)30-32(23)19-12-8-7-9-13-19/h7-15,17H,5-6,16,18H2,1-4H3,(H,28,34)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,22,23,24,2,3,18,17,19,31,30,16,20,32,29,4,11,6,15,33,28,12,10,7,25,21,34,27,9,13,5,14,8,26/E:(2,3,4)(8,9)(12,13)/rA:34nCCCCNCCONCCCNNCCCCCCCCCCCONCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s12;s21;s21;s21;s5;d25;s25;s27;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂BrN₅O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	15.1358
Area:	754.426
Solvation:	-3.72483
Coulombic:	-58.4014

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	526.469
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.47
LogP (Chemaxon):	5.95

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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