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Chemical ID: 4179470

Chemical ID:

4179470

Name [?]:

N-[4-[4-(4-methoxyphenyl)thiazol-2-yl]aminophenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)Nc2nc(cs2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C18H17N3O2S/c1-12(22)19-14-5-7-15(8-6-14)20-18-21-17(11-24-18)13-3-9-16(23-2)10-4-13/h3-11H,1-2H3,(H,19,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,24,18,22,6,10,7,9,19,21,15,2,17,5,8,20,14,12,4,11,13,3,23,16/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCONCCCCCCNCNCCSCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇N₃O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.67578
Area:	554.552
Solvation:	-4.18802
Coulombic:	-44.3338

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	339.413
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.82
LogP (Chemaxon):	3.71

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