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Chemical ID: 4849670

COc1ccc(cc1)NC(=O)CC2C(=O)N(C(=S)N2Cc3ccc(cc3)F)c4ccccc4

Chemical ID:

4849670

Name [?]:

2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)-acetamide

SMILES [?]:

COc1ccc(cc1)NC(=O)CC2C(=O)N(C(=S)N2Cc3ccc(cc3)F)c4ccccc4

InChi [?]:

InChI=1/C25H22FN3O3S/c1-32-21-13-11-19(12-14-21)27-23(30)15-22-24(31)29(20-5-3-2-4-6-20)25(33)28(22)16-17-7-9-18(26)10-8-17/h2-14,22H,15-16H2,1H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,31,30,32,29,33,22,26,23,25,5,7,4,8,12,20,21,24,6,28,3,13,10,14,17,27,9,19,16,11,15,2,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:33cCOCCCCCCNCOCCCONCSNCCCCCCCFCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s13s17;s19;s20;s21;d22;s23;d24;d21s25;s24;s16;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂FN₃O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8118
Area:	677.948
Solvation:	-6.1369
Coulombic:	-55.9424

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.525
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.25
LogP (Chemaxon):	4.68

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