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Chemical ID: 5884371

CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2C)C)C(C)(C)C)C(=O)Nc3ccc(c(c3)C)C

Chemical ID:

5884371

Name [?]:

2-[butyl-[(3,4-dimethylphenyl)carbamoyl]amino]-N-[2-(2,4-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]-acetamide

SMILES [?]:

CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2C)C)C(C)(C)C)C(=O)Nc3ccc(c(c3)C)C

InChi [?]:

InChI=1/C30H41N5O2/c1-9-10-15-34(29(37)31-24-13-12-21(3)22(4)17-24)19-28(36)32-27-18-26(30(6,7)8)33-35(27)25-14-11-20(2)16-23(25)5/h11-14,16-18H,9-10,15,19H2,1-8H3,(H,31,37)(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,22,37,36,21,24,25,26,2,3,17,32,31,16,4,19,35,11,6,18,33,34,20,30,15,12,10,7,27,23,29,9,13,5,14,8,28/E:(6,7,8)/rA:37nCCCCNCCONCCCNNCCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s18;s12;s23;s23;s23;s5;d27;s27;s29;s30;d31;s32;d33;d30s34;s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₄₁N₅O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	16.309
Area:	809.998
Solvation:	-3.9409
Coulombic:	-57.287

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	503.679
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.21
LogP (Chemaxon):	7.68

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