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Chemical ID: 6477373

CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccc(cc3)Oc4ccccc4

Chemical ID:

6477373

Name [?]:

N-[4-[2-(4-phenoxyphenyl)aminothiazol-4-yl]phenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccc(cc3)Oc4ccccc4

InChi [?]:

InChI=1/C23H19N3O2S/c1-16(27)24-18-9-7-17(8-10-18)22-15-29-23(26-22)25-19-11-13-21(14-12-19)28-20-5-3-2-4-6-20/h2-15H,1H3,(H,24,27)(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,25,29,7,9,6,10,18,22,19,21,12,2,8,5,17,24,20,11,14,4,16,15,3,23,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCONCCCCCCCCSCNNCCCCCCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉N₃O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.967
Area:	629.228
Solvation:	-3.76365
Coulombic:	-46.3756

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	401.482
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.8
LogP (Chemaxon):	5.4

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