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Chemical ID: 5882659

CCCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc4ccccc4c3

Chemical ID:

5882659

Name [?]:

N-[[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-pentyl-naphthalene-2-carboxamide

SMILES [?]:

CCCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc4ccccc4c3

InChi [?]:

InChI=1/C32H38N4O3/c1-6-7-10-19-35(31(38)25-14-13-23-11-8-9-12-24(23)20-25)22-30(37)33-29-21-28(32(2,3)4)34-36(29)26-15-17-27(39-5)18-16-26/h8-9,11-18,20-21H,6-7,10,19,22H2,1-5H3,(H,33,37)

InChi Info:

AuxInfo=1/1/N:1,25,26,27,23,2,3,35,36,4,34,37,32,31,17,21,18,20,5,39,12,7,33,38,30,16,19,13,11,8,28,24,10,14,6,15,9,29,22/E:(2,3,4)(15,16)(17,18)/rA:39nCCCCCNCCONCCCNNCCCCCCOCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s13;s24;s24;s24;s6;d28;s28;s30;d31;s32;s33;d34;s35;d36;d33s37;d30s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₈N₄O₃
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	0

ZAP Information [?]

Total:	15.2106
Area:	817.297
Solvation:	-5.22186
Coulombic:	-52.9319

Bond Count [?]

All:	42
Single:	30
Double:	12
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	526.669
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.93
LogP (Chemaxon):	6.55

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