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Chemical ID: 5884822

CCc1cccc(c1)NC(=O)N(CCCOC)CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C

Chemical ID:

5884822

Name [?]:

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

SMILES [?]:

CCc1cccc(c1)NC(=O)N(CCCOC)CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C

InChi [?]:

InChI=1/C29H39N5O3/c1-7-22-10-8-11-23(18-22)30-28(36)33(16-9-17-37-6)20-27(35)31-26-19-25(29(3,4)5)32-34(26)24-14-12-21(2)13-15-24/h8,10-15,18-19H,7,9,16-17,20H2,1-6H3,(H,30,36)(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,33,35,36,37,17,2,5,14,4,6,29,31,28,32,13,15,8,23,18,30,3,7,27,24,22,19,10,34,9,21,25,12,26,20,11,16/E:(3,4,5)(12,13)(14,15)/rA:37nCCCCCCCCNCONCCCOCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s16;s12;s18;d19;s19;s21;d22;s23;d24;s22s25;s26;s27;d28;s29;d30;d27s31;s30;s24;s34;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₉N₅O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	14.8511
Area:	823.062
Solvation:	-5.72543
Coulombic:	-64.5094

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	505.652
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.83
LogP (Chemaxon):	5.82

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value