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Chemical ID: 5930863

CC(C)CCNC(=O)C1CSC(N1C(=O)c2ccc(cc2Cl)Cl)c3ccc(cc3)F

Chemical ID:

5930863

Name [?]:

3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-N-isopentyl-thiazolidine-4-carboxamide

SMILES [?]:

CC(C)CCNC(=O)C1CSC(N1C(=O)c2ccc(cc2Cl)Cl)c3ccc(cc3)F

InChi [?]:

InChI=1/C22H23Cl2FN2O2S/c1-13(2)9-10-26-20(28)19-12-30-22(14-3-6-16(25)7-4-14)27(19)21(29)17-8-5-15(23)11-18(17)24/h3-8,11,13,19,22H,9-10,12H2,1-2H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,3,25,29,18,26,28,17,4,5,20,10,2,24,19,27,16,21,9,7,14,12,23,22,30,6,13,8,15,11/E:(1,2)(3,4)(6,7)/rA:30cCCCCCNCOCCSCNCOCCCCCCClClCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;s12;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃Cl₂FN₂O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	2

ZAP Information [?]

Total:	11.6983
Area:	651.003
Solvation:	-4.57679
Coulombic:	-44.8235

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	469.4
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.32
LogP (Chemaxon):	5.33

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