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Chemical ID: 6024433

CCCCC(=O)N(CCN1CCCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C

Chemical ID:

6024433

Name [?]:

N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-pyrrolidin-1-ylethyl)pentanamide

SMILES [?]:

CCCCC(=O)N(CCN1CCCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C

InChi [?]:

InChI=1/C26H36FN3O2S/c1-3-4-7-25(31)29(16-15-28-13-5-6-14-28)20-26(32)30(19-24-21(2)12-17-33-24)18-22-8-10-23(27)11-9-22/h8-12,17H,3-7,13-16,18-20H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,33,2,3,12,13,4,21,25,22,24,30,11,14,9,8,31,19,27,15,29,20,23,28,5,16,26,10,7,18,6,17,32/E:(5,6)(8,9)(10,11)(13,14)/rA:33nCCCCCONCCNCCCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s10s13;s7;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s18;s27;d28;s29;d30;s28s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₆FN₃O₂S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.117
Area:	726.143
Solvation:	-5.03661
Coulombic:	-42.6959

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	473.647
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.7
LogP (Chemaxon):	3.93

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

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

Chemical Mix	Source	External ID	Descriptor	Value