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Chemical ID: 6023592

COCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3ccc(cc3)F

Chemical ID:

6023592

Name [?]:

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

SMILES [?]:

COCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C24H24F2N2O3S/c1-31-13-12-27(24(30)19-6-10-21(26)11-7-19)17-23(29)28(16-22-3-2-14-32-22)15-18-4-8-20(25)9-5-18/h2-11,14H,12-13,15-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,21,20,12,16,27,31,13,15,28,30,4,3,22,10,18,6,11,26,14,29,19,7,24,17,32,5,9,8,25,2,23/E:(4,5)(6,7)(8,9)(10,11)/rA:32nCOCCNCCONCCCCCCCFCCCCCSCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄F₂N₂O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.51456
Area:	634.835
Solvation:	-7.35631
Coulombic:	-49.7693

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	458.522
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.5
LogP (Chemaxon):	3.44

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