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Chemical ID: 5940421

CCc1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4ccc(cc4)F

Chemical ID:

5940421

Name [?]:

4-ethyl-N-[4-[2-(4-fluorophenyl)aminothiazol-4-yl]phenyl]-benzamide

SMILES [?]:

CCc1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4ccc(cc4)F

InChi [?]:

InChI=1/C24H20FN3OS/c1-2-16-3-5-18(6-4-16)23(29)26-20-11-7-17(8-12-20)22-15-30-24(28-22)27-21-13-9-19(25)10-14-21/h3-15H,2H2,1H3,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,4,8,5,7,14,16,26,28,13,17,25,29,19,3,15,6,27,12,24,18,9,21,30,11,23,22,10,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCCCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s19;s20;s18d21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀FN₃OS
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7548
Area:	651.522
Solvation:	-3.53329
Coulombic:	-45.0947

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	417.5
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	6.1
LogP (Chemaxon):	6.7

Name Annotations

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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