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Chemical ID: 5882840

CCc1ccccc1NC(=O)N(CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C)C(C)C

Chemical ID:

5882840

Name [?]:

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

SMILES [?]:

CCc1ccccc1NC(=O)N(CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C)C(C)C

InChi [?]:

InChI=1/C28H37N5O2/c1-8-21-11-9-10-12-23(21)29-27(35)32(19(2)3)18-26(34)30-25-17-24(28(5,6)7)31-33(25)22-15-13-20(4)14-16-22/h9-17,19H,8,18H2,1-7H3,(H,29,35)(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,34,35,28,30,31,32,2,5,6,4,7,24,26,23,27,18,13,33,25,3,22,8,19,17,14,10,29,9,16,20,12,21,15,11/E:(2,3)(5,6,7)(13,14)(15,16)/rA:35nCCCCCCCCNCONCCONCCCNNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s21;s22;d23;s24;d25;d22s26;s25;s19;s29;s29;s29;s12;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₇N₅O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	14.9887
Area:	751.426
Solvation:	-3.79698
Coulombic:	-57.664

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	475.626
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.33
LogP (Chemaxon):	6.04

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