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Chemical ID: 5881052

CCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)Nc3ccc(cc3)C

Chemical ID:

5881052

Name [?]:

2-(butyl-(p-tolylcarbamoyl)amino)-N-[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide

SMILES [?]:

CCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)Nc3ccc(cc3)C

InChi [?]:

InChI=1/C28H37N5O2/c1-7-8-17-32(27(35)29-22-15-13-20(2)14-16-22)19-26(34)30-25-18-24(28(4,5)6)31-33(25)23-12-10-9-11-21(23)3/h9-16,18H,7-8,17,19H2,1-6H3,(H,29,35)(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,35,21,23,24,25,2,3,18,17,19,16,31,33,30,34,4,11,6,32,20,29,15,12,10,7,26,22,28,9,13,5,14,8,27/E:(4,5,6)(13,14)(15,16)/rA:35nCCCCNCCONCCCNNCCCCCCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s12;s22;s22;s22;s5;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₇N₅O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	15.3112
Area:	768.925
Solvation:	-3.91197
Coulombic:	-57.7625

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	475.626
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.33
LogP (Chemaxon):	6.74

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