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Chemical ID: 5885505

Cc1cccc(c1)NC(=O)N(CCC(C)C)CC(=O)Nc2cc(nn2c3ccccc3C)C(C)(C)C

Chemical ID:

5885505

Name [?]:

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

SMILES [?]:

Cc1cccc(c1)NC(=O)N(CCC(C)C)CC(=O)Nc2cc(nn2c3ccccc3C)C(C)(C)C

InChi [?]:

InChI=1/C29H39N5O2/c1-20(2)15-16-33(28(36)30-23-13-10-11-21(3)17-23)19-27(35)31-26-18-25(29(5,6)7)32-34(26)24-14-9-8-12-22(24)4/h8-14,17-18,20H,15-16,19H2,1-7H3,(H,30,36)(H,31,35)

InChi Info:

AuxInfo=1/1/N:15,16,1,32,34,35,36,29,28,4,3,30,5,27,13,12,7,22,17,14,2,31,6,26,23,21,18,9,33,8,20,24,11,25,19,10/E:(1,2)(5,6,7)/rA:36nCCCCCCCNCONCCCCCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s14;s11;s17;d18;s18;s20;d21;s22;d23;s21s24;s25;s26;d27;s28;d29;d26s30;s31;s23;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₉N₅O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	15.8103
Area:	786.783
Solvation:	-3.85925
Coulombic:	-58.1743

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	489.652
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.84
LogP (Chemaxon):	7.07

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