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Chemical ID: 5885064

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)c3ccc(cc3OC)OC

Chemical ID:

5885064

Name [?]:

2,4-dimethoxy-N-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-pentyl-benzamide

SMILES [?]:

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)c3ccc(cc3OC)OC

InChi [?]:

InChI=1/C30H40N4O4/c1-8-9-12-17-33(29(36)23-16-15-22(37-6)18-25(23)38-7)20-28(35)31-27-19-26(30(3,4)5)32-34(27)24-14-11-10-13-21(24)2/h10-11,13-16,18-19H,8-9,12,17,20H2,1-7H3,(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,22,24,25,26,38,36,2,3,19,18,4,20,17,31,30,5,33,12,7,21,32,29,16,34,13,11,8,27,23,10,14,6,15,9,28,37,35/E:(3,4,5)/rA:38nCCCCCNCCONCCCNNCCCCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s21;s13;s23;s23;s23;s6;d27;s27;s29;d30;s31;d32;d29s33;s34;s35;s32;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₄₀N₄O₄
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0015
Area:	811.911
Solvation:	-7.29631
Coulombic:	-57.375

Bond Count [?]

All:	40
Single:	30
Double:	10
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	520.663
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.81
LogP (Chemaxon):	5.76

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value