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Chemical ID: 5885863

Cc1ccccc1n2c(c(c(n2)C)c3ccccc3)NC(=O)CN(CC(C)C)C(=O)CCc4ccccc4

Chemical ID:

5885863

Name [?]:

N-isobutyl-N-[[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]carbamoylmethyl]-3-phenyl-propanamide

SMILES [?]:

Cc1ccccc1n2c(c(c(n2)C)c3ccccc3)NC(=O)CN(CC(C)C)C(=O)CCc4ccccc4

InChi [?]:

InChI=1/C32H36N4O2/c1-23(2)21-35(30(38)20-19-26-14-7-5-8-15-26)22-29(37)33-32-31(27-16-9-6-10-17-27)25(4)34-36(32)28-18-12-11-13-24(28)3/h5-18,23H,19-22H2,1-4H3,(H,33,37)

InChi Info:

AuxInfo=1/1/N:27,28,1,13,36,17,35,37,16,18,4,5,3,34,38,15,19,6,32,31,25,23,26,2,11,33,14,7,21,29,10,9,20,12,24,8,22,30/E:(1,2)(7,8)(9,10)(14,15)(16,17)/rA:38nCCCCCCCNCCCNCCCCCCCNCOCNCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s11;s10;s14;d15;s16;d17;d14s18;s9;s20;d21;s21;s23;s24;s25;s26;s26;s24;d29;s29;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₆N₄O₂
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	14.623
Area:	774.381
Solvation:	-4.73654
Coulombic:	-44.3289

Bond Count [?]

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

Chemical Properties

Molecular Weight:	508.654
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.23
LogP (Chemaxon):	6.22

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