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Chemical ID: 5940532

COc1cccc(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4cccc(c4)F

Chemical ID:

5940532

Name [?]:

3-fluoro-N-[4-[2-(3-methoxyphenyl)aminothiazol-4-yl]phenyl]-benzamide

SMILES [?]:

COc1cccc(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4cccc(c4)F

InChi [?]:

InChI=1/C23H18FN3O2S/c1-29-20-7-3-6-19(13-20)26-23-27-21(14-30-23)15-8-10-18(11-9-15)25-22(28)16-4-2-5-17(24)12-16/h2-14H,1H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,26,5,25,27,6,4,16,20,17,19,29,8,13,15,24,28,18,7,3,12,22,10,30,21,9,11,23,2,14/E:(8,9)(10,11)/rA:30nCOCCCCCCNCNCCSCCCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈FN₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0609
Area:	640.793
Solvation:	-4.9589
Coulombic:	-50.9582

Bond Count [?]

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

Chemical Properties

Molecular Weight:	419.472
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.12
LogP (Chemaxon):	5.58

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