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Chemical ID: 5883203

CCc1ccc(cc1)NC(=O)N(CC)CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C

Chemical ID:

5883203

Name [?]:

2-[ethyl-[(4-ethylphenyl)carbamoyl]amino]-N-[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)N(CC)CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C

InChi [?]:

InChI=1/C27H35N5O2/c1-7-20-11-13-21(14-12-20)28-26(34)31(8-2)18-25(33)29-24-17-23(27(4,5)6)30-32(24)22-15-9-19(3)10-16-22/h9-17H,7-8,18H2,1-6H3,(H,28,34)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,14,30,32,33,34,2,13,26,28,4,8,5,7,25,29,20,15,27,3,6,24,21,19,16,10,31,9,18,22,12,23,17,11/E:(4,5,6)(9,10)(11,12)(13,14)(15,16)/rA:34nCCCCCCCCNCONCCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s12;s15;d16;s16;s18;d19;s20;d21;s19s22;s23;s24;d25;s26;d27;d24s28;s27;s21;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₅N₅O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.7064
Area:	749.236
Solvation:	-4.02451
Coulombic:	-57.2323

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	461.599
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.08
LogP (Chemaxon):	6.27

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