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Chemical ID: 5884181

Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCOC)C(=O)CCc3ccccc3

Chemical ID:

5884181

Name [?]:

N-[[2-(2,4-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-(2-methoxyethyl)-3-phenyl-propanamide

SMILES [?]:

Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCOC)C(=O)CCc3ccccc3

InChi [?]:

InChI=1/C29H38N4O3/c1-21-12-14-24(22(2)18-21)33-26(19-25(31-33)29(3,4)5)30-27(34)20-32(16-17-36-6)28(35)15-13-23-10-8-7-9-11-23/h7-12,14,18-19H,13,15-17,20H2,1-6H3,(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,8,15,16,17,26,34,33,35,32,36,3,30,4,29,23,24,7,11,21,2,6,31,5,12,10,19,27,14,18,13,22,9,20,28,25/E:(3,4,5)(8,9)(10,11)/rA:36nCCCCCCCCNCCCNCCCCNCOCNCCOCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;s14;s14;s10;s18;d19;s19;s21;s22;s23;s24;s25;s22;d27;s27;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₈N₄O₃
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.1778
Area:	779.455
Solvation:	-5.30857
Coulombic:	-51.1268

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	490.637
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.28
LogP (Chemaxon):	5.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value