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Chemical ID: 5911701

Cc1ccc(o1)CN(Cc2ccc(cc2)F)C(=O)CN(C(=O)c3ccccc3)C(C)(C)C

Chemical ID:

5911701

Name [?]:

N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-tert-butyl-benzamide

SMILES [?]:

Cc1ccc(o1)CN(Cc2ccc(cc2)F)C(=O)CN(C(=O)c3ccccc3)C(C)(C)C

InChi [?]:

InChI=1/C26H29FN2O3/c1-19-10-15-23(32-19)17-28(16-20-11-13-22(27)14-12-20)24(30)18-29(26(2,3)4)25(31)21-8-6-5-7-9-21/h5-15H,16-18H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,30,31,32,26,25,27,24,28,3,11,15,12,14,4,9,7,19,2,10,23,13,5,17,21,29,16,8,20,18,22,6/E:(2,3,4)(6,7)(8,9)(11,12)(13,14)/rA:32nCCCCCOCNCCCCCCCFCOCNCOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s20;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₉FN₂O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4187
Area:	621.036
Solvation:	-5.10717
Coulombic:	-45.5907

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.519
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.7
LogP (Chemaxon):	3.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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