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Chemical ID: 5883150

CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)Nc3cccc(c3)F

Chemical ID:

5883150

Name [?]:

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

SMILES [?]:

CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)Nc3cccc(c3)F

InChi [?]:

InChI=1/C27H34FN5O2/c1-6-7-15-32(26(35)29-21-10-8-9-20(28)16-21)18-25(34)30-24-17-23(27(3,4)5)31-33(24)22-13-11-19(2)12-14-22/h8-14,16-17H,6-7,15,18H2,1-5H3,(H,29,35)(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,21,23,24,25,2,3,31,32,30,17,19,16,20,4,34,11,6,18,33,29,15,12,10,7,26,22,35,28,9,13,5,14,8,27/E:(3,4,5)(11,12)(13,14)/rA:35nCCCCNCCONCCCNNCCCCCCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s12;s22;s22;s22;s5;d26;s26;s28;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₄FN₅O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	14.333
Area:	762.208
Solvation:	-4.72221
Coulombic:	-60.8057

Bond Count [?]

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

Chemical Properties

Molecular Weight:	479.59
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.27
LogP (Chemaxon):	6.41

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