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Chemical ID: 5884005

CCCCN(CC(=O)Nc1c(c(nn1c2ccc(cc2)C)C)c3ccccc3)C(=O)Cc4ccccc4

Chemical ID:

5884005

Name [?]:

2-[butyl-(2-phenylacetyl)-amino]-N-[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]-acetamide

SMILES [?]:

CCCCN(CC(=O)Nc1c(c(nn1c2ccc(cc2)C)C)c3ccccc3)C(=O)Cc4ccccc4

InChi [?]:

InChI=1/C31H34N4O2/c1-4-5-20-34(29(37)21-25-12-8-6-9-13-25)22-28(36)32-31-30(26-14-10-7-11-15-26)24(3)33-35(31)27-18-16-23(2)17-19-27/h6-19H,4-5,20-22H2,1-3H3,(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,21,22,2,3,35,26,34,36,25,27,33,37,24,28,17,19,16,20,4,31,6,18,12,32,23,15,7,29,11,10,9,13,5,14,8,30/E:(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:37nCCCCNCCONCCCNNCCCCCCCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s12;s11;s23;d24;s25;d26;d23s27;s5;d29;s29;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₄N₄O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	13.9763
Area:	766.028
Solvation:	-5.17443
Coulombic:	-44.2626

Bond Count [?]

All:	40
Single:	27
Double:	13
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	494.627
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.54
LogP (Chemaxon):	5.82

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