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Chemical ID: 5885307

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Cc3ccc(cc3)F

Chemical ID:

5885307

Name [?]:

N-[2-(2-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-2-[[2-(4-fluorophenyl)acetyl]-pentyl-amino]-acetamide

SMILES [?]:

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C28H34ClFN4O2/c1-5-6-9-16-33(27(36)17-20-12-14-21(30)15-13-20)19-26(35)31-25-18-24(28(2,3)4)32-34(25)23-11-8-7-10-22(23)29/h7-8,10-15,18H,5-6,9,16-17,19H2,1-4H3,(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,24,25,26,2,3,19,18,4,20,17,31,35,32,34,5,29,12,7,30,33,21,16,13,11,8,27,23,22,36,10,14,6,15,9,28/E:(2,3,4)(12,13)(14,15)/rA:36nCCCCCNCCONCCCNNCCCCCCClCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s21;s13;s23;s23;s23;s6;d27;s27;s29;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₄ClFN₄O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.467
Area:	792.227
Solvation:	-5.3387
Coulombic:	-47.7077

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	513.046
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.34
LogP (Chemaxon):	6.57

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value