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Chemical ID: 5885566

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)Nc3cccc(c3C)C

Chemical ID:

5885566

Name [?]:

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

SMILES [?]:

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)Nc3cccc(c3C)C

InChi [?]:

InChI=1/C30H41N5O2/c1-8-9-12-18-34(29(37)31-24-16-13-15-21(2)23(24)4)20-28(36)32-27-19-26(30(5,6)7)33-35(27)25-17-11-10-14-22(25)3/h10-11,13-17,19H,8-9,12,18,20H2,1-7H3,(H,31,37)(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,37,22,36,24,25,26,2,3,19,18,4,32,20,33,31,17,5,12,7,34,21,35,30,16,13,11,8,27,23,29,10,14,6,15,9,28/E:(5,6,7)/rA:37nCCCCCNCCONCCCNNCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s21;s13;s23;s23;s23;s6;d27;s27;s29;s30;d31;s32;d33;d30s34;s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	16.1827
Area:	803.65
Solvation:	-3.90852
Coulombic:	-57.9971

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	503.679
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.13
LogP (Chemaxon):	6.96

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