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Chemical ID: 5883718

CCCC(=O)N(Cc1ccccc1)CC(=O)Nc2cc(nn2c3ccc(c(c3)Cl)Cl)C(C)(C)C

Chemical ID:

5883718

Name [?]:

N-benzyl-N-[[2-(3,4-dichlorophenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]butanamide

SMILES [?]:

CCCC(=O)N(Cc1ccccc1)CC(=O)Nc2cc(nn2c3ccc(c(c3)Cl)Cl)C(C)(C)C

InChi [?]:

InChI=1/C26H30Cl2N4O2/c1-5-9-25(34)31(16-18-10-7-6-8-11-18)17-24(33)29-23-15-22(26(2,3)4)30-32(23)19-12-13-20(27)21(28)14-19/h6-8,10-15H,5,9,16-17H2,1-4H3,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,32,33,34,2,11,10,12,3,9,13,24,25,28,19,7,14,8,23,26,27,20,18,15,4,31,30,29,17,21,6,22,16,5/E:(2,3,4)(7,8)(10,11)/rA:34nCCCCONCCCCCCCCCONCCCNNCCCCCCClClCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;d15;s15;s17;d18;s19;d20;s18s21;s22;s23;d24;s25;d26;d23s27;s27;s26;s20;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₀Cl₂N₄O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.8011
Area:	766.239
Solvation:	-4.35489
Coulombic:	-43.6512

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	501.448
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.89
LogP (Chemaxon):	6.3

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