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Chemical ID: 6023787

COCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)Cc3cccs3

Chemical ID:

6023787

Name [?]:

N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[2-(2-thienyl)acetyl]-amino]-N-(2-thienylmethyl)acetamide

SMILES [?]:

COCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)Cc3cccs3

InChi [?]:

InChI=1/C24H27FN2O3S2/c1-30-12-4-11-26(23(28)15-21-5-2-13-31-21)18-24(29)27(17-22-6-3-14-32-22)16-19-7-9-20(25)10-8-19/h2-3,5-10,13-14H,4,11-12,15-18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,30,22,4,29,21,13,17,14,16,5,3,31,23,27,11,19,7,12,15,28,20,25,8,18,6,10,26,9,2,32,24/E:(7,8)(9,10)/rA:32nCOCCCNCCONCCCCCCCFCCCCCSCOCCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;s20s23;s6;d25;s25;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇FN₂O₃S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.334
Area:	719.919
Solvation:	-6.66398
Coulombic:	-45.48

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	14
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	474.613
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.57
LogP (Chemaxon):	2.89

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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