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Chemical ID: 5886589

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2)c3ccccc3)C(=O)c4ccc5ccccc5c4

Chemical ID:

5886589

Name [?]:

N-[(2,5-diphenylpyrazol-3-yl)carbamoylmethyl]-N-pentyl-naphthalene-2-carboxamide

SMILES [?]:

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2)c3ccccc3)C(=O)c4ccc5ccccc5c4

InChi [?]:

InChI=1/C33H32N4O2/c1-2-3-12-21-36(33(39)28-20-19-25-13-10-11-16-27(25)22-28)24-32(38)34-31-23-30(26-14-6-4-7-15-26)35-37(31)29-17-8-5-9-18-29/h4-11,13-20,22-23H,2-3,12,21,24H2,1H3,(H,34,38)

InChi Info:

AuxInfo=1/1/N:1,2,3,25,19,24,26,18,20,35,36,4,34,23,27,37,17,21,32,31,5,39,12,7,33,22,38,30,16,13,11,8,28,10,14,6,15,9,29/E:(6,7)(8,9)(14,15)(17,18)/rA:39nCCCCCNCCONCCCNNCCCCCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s13;s22;d23;s24;d25;d22s26;s6;d28;s28;s30;d31;s32;s33;d34;s35;d36;d33s37;d30s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₃H₃₂N₄O₂
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	0

ZAP Information [?]

Total:	15.8954
Area:	801.385
Solvation:	-4.13926
Coulombic:	-48.1657

Bond Count [?]

All:	43
Single:	28
Double:	15
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	516.633
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	7.98
LogP (Chemaxon):	6.86

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