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Chemical ID: 5930926

Cc1ccccc1C(=O)N2C(CSC2c3ccc(cc3)F)C(=O)NCCc4ccc(cc4Cl)Cl

Chemical ID:

5930926

Name [?]:

N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)-3-(2-methylbenzoyl)-thiazolidine-4-carboxamide

SMILES [?]:

Cc1ccccc1C(=O)N2C(CSC2c3ccc(cc3)F)C(=O)NCCc4ccc(cc4Cl)Cl

InChi [?]:

InChI=1/C26H23Cl2FN2O2S/c1-16-4-2-3-5-21(16)25(33)31-23(15-34-26(31)18-7-10-20(29)11-8-18)24(32)30-13-12-17-6-9-19(27)14-22(17)28/h2-11,14,23,26H,12-13,15H2,1H3,(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,4,5,3,6,28,16,20,29,17,19,26,25,31,12,2,27,15,30,18,7,32,11,22,8,14,34,33,21,24,10,23,9,13/E:(7,8)(10,11)/rA:34cCCCCCCCCONCCSCCCCCCCFCONCCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s11;d22;s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃Cl₂FN₂O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	2

ZAP Information [?]

Total:	13.0141
Area:	709.185
Solvation:	-4.71547
Coulombic:	-46.6952

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	517.443
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.77
LogP (Chemaxon):	6.28

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