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Chemical ID: 5884628

CCCN(CC(=O)Nc1c(c(nn1c2ccc(cc2)OC)C)c3ccccc3)C(=O)Nc4ccccc4C

Chemical ID:

5884628

Name [?]:

N-[2-(4-methoxyphenyl)-5-methyl-4-phenyl-pyrazol-3-yl]-2-(o-tolylcarbamoyl-propyl-amino)-acetamide

SMILES [?]:

CCCN(CC(=O)Nc1c(c(nn1c2ccc(cc2)OC)C)c3ccccc3)C(=O)Nc4ccccc4C

InChi [?]:

InChI=1/C30H33N5O3/c1-5-19-34(30(37)31-26-14-10-9-11-21(26)2)20-27(36)32-29-28(23-12-7-6-8-13-23)22(3)33-35(29)24-15-17-25(38-4)18-16-24/h6-18H,5,19-20H2,1-4H3,(H,31,37)(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,38,22,21,2,26,25,27,35,34,36,24,28,33,15,19,16,18,3,5,37,11,23,14,17,32,6,10,9,29,31,8,12,4,13,7,30,20/E:(7,8)(12,13)(15,16)(17,18)/rA:38nCCCNCCONCCCNNCCCCCCOCCCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s11;s10;s23;d24;s25;d26;d23s27;s4;d29;s29;s31;s32;d33;s34;d35;d32s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₃N₅O₃
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1354
Area:	759.152
Solvation:	-5.84343
Coulombic:	-64.1653

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	511.615
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.35
LogP (Chemaxon):	4.8

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