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Chemical ID: 5884852

CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2cc(nn2c3ccccc3)C(C)(C)C)C(C)C

Chemical ID:

5884852

Name [?]:

N-isopropyl-4-pentyl-N-[(2-phenyl-5-tert-butyl-pyrazol-3-yl)carbamoylmethyl]benzamide

SMILES [?]:

CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2cc(nn2c3ccccc3)C(C)(C)C)C(C)C

InChi [?]:

InChI=1/C30H40N4O2/c1-7-8-10-13-23-16-18-24(19-17-23)29(36)33(22(2)3)21-28(35)31-27-20-26(30(4,5)6)32-34(27)25-14-11-9-12-15-25/h9,11-12,14-20,22H,7-8,10,13,21H2,1-6H3,(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,35,36,31,32,33,2,3,27,4,26,28,5,25,29,7,11,8,10,20,15,34,6,9,24,21,19,16,12,30,18,22,14,23,17,13/E:(2,3)(4,5,6)(11,12)(14,15)(16,17)(18,19)/rA:36nCCCCCCCCCCCCONCCONCCCNNCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s19s22;s23;s24;d25;s26;d27;d24s28;s21;s30;s30;s30;s14;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₄₀N₄O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	15.8954
Area:	781.259
Solvation:	-3.63611
Coulombic:	-46.5722

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	488.664
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	7.32
LogP (Chemaxon):	7.01

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