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Chemical ID: 5881905

Cc1ccccc1n2c(cc(n2)C(C)(C)C)NC(=O)C(Cc3ccccc3)NC(=O)c4ccccc4

Chemical ID:

5881905

Name [?]:

N-[1-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoyl]-2-phenyl-ethyl]benzamide

SMILES [?]:

Cc1ccccc1n2c(cc(n2)C(C)(C)C)NC(=O)C(Cc3ccccc3)NC(=O)c4ccccc4

InChi [?]:

InChI=1/C30H32N4O2/c1-21-13-11-12-18-25(21)34-27(20-26(33-34)30(2,3)4)32-29(36)24(19-22-14-7-5-8-15-22)31-28(35)23-16-9-6-10-17-23/h5-18,20,24H,19H2,1-4H3,(H,31,35)(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,14,15,16,25,34,24,26,33,35,4,5,3,23,27,32,36,6,21,10,2,22,31,20,7,11,9,29,18,13,28,17,12,8,30,19/E:(2,3,4)(7,8)(9,10)(14,15)(16,17)/rA:36cCCCCCCCNCCCNCCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s11;s13;s13;s13;s9;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s20;s28;d29;s29;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₂N₄O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	14.6649
Area:	728.068
Solvation:	-3.5368
Coulombic:	-51.8703

Bond Count [?]

All:	39
Single:	26
Double:	13
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	480.601
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.89
LogP (Chemaxon):	6.64

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