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Chemical ID: 6948965

CCCCc1ccc(cc1)n2nc3cc(c(cc3n2)NC(=O)COc4ccc(cc4)C(C)(C)C)C

Chemical ID:

6948965

Name [?]:

N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-(4-tert-butylphenoxy)-acetamide

SMILES [?]:

CCCCc1ccc(cc1)n2nc3cc(c(cc3n2)NC(=O)COc4ccc(cc4)C(C)(C)C)C

InChi [?]:

InChI=1/C29H34N4O2/c1-6-7-8-21-9-13-23(14-10-21)33-31-26-17-20(2)25(18-27(26)32-33)30-28(34)19-35-24-15-11-22(12-16-24)29(3,4)5/h9-18H,6-8,19H2,1-5H3,(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,35,32,33,34,2,3,4,6,10,27,29,7,9,26,30,14,17,23,15,5,28,8,25,16,13,18,21,31,20,12,19,11,22,24/E:(3,4,5)(9,10)(11,12)(13,14)(15,16)/rA:35nCCCCCCCCCCNNCCCCCCNNCOCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s15;d16;s13s17;s11d18;s16;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;s31;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₄N₄O₂
All Atoms:	69
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	14.3888
Area:	766.231
Solvation:	-4.76697
Coulombic:	-35.7903

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	470.606
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	8.93
LogP (Chemaxon):	7.08

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