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Chemical ID: 6023796

COCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3ccccc3F

Chemical ID:

6023796

Name [?]:

2-fluoro-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(3-methoxypropyl)benzamide

SMILES [?]:

COCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3ccccc3F

InChi [?]:

InChI=1/C25H26F2N2O3S/c1-32-14-5-13-28(25(31)22-7-2-3-8-23(22)27)18-24(30)29(17-21-6-4-15-33-21)16-19-9-11-20(26)12-10-19/h2-4,6-12,15H,5,13-14,16-18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,29,30,22,4,21,28,31,13,17,14,16,5,3,23,11,19,7,12,15,20,27,32,8,25,18,33,6,10,9,26,2,24/E:(9,10)(11,12)/rA:33nCOCCCNCCONCCCCCCCFCCCCCSCOCCCCCCF/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;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆F₂N₂O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	9.17614
Area:	668.671
Solvation:	-7.54065
Coulombic:	-50.1123

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	472.548
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.85
LogP (Chemaxon):	3.5

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