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Chemical ID: 6446113

c1cc(c(c(c1)Cl)COc2ccc(cc2)C=NNc3nc(cs3)c4ccc(cc4Cl)Cl)F

Chemical ID:

6446113

Name [?]:

N-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]methyleneamino]-4-(2,4-dichlorophenyl)-thiazol-2-amine

SMILES [?]:

c1cc(c(c(c1)Cl)COc2ccc(cc2)C=NNc3nc(cs3)c4ccc(cc4Cl)Cl)F

InChi [?]:

InChI=1/C23H15Cl3FN3OS/c24-15-6-9-17(20(26)10-15)22-13-32-23(29-22)30-28-11-14-4-7-16(8-5-14)31-12-18-19(25)2-1-3-21(18)27/h1-11,13H,12H2,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,6,2,12,14,26,11,15,25,28,16,8,22,13,27,10,24,4,5,29,3,21,19,31,7,30,32,17,20,18,9,23/E:(4,5)(7,8)/rA:32nCCCCCCClCOCCCCCCCNNCNCCSCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s29;s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₅Cl₃FN₃OS
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2796
Area:	713.773
Solvation:	-4.56469
Coulombic:	-30.3541

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	506.807
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	8.83
LogP (Chemaxon):	8.37

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

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Chemical Mix	Source	External ID	Descriptor	Value