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Chemical ID: 6863264

Cc1ccc(cc1)c2c(sc(n2)NC(=O)C=Cc3ccc(cc3)OCc4ccccc4)C

Chemical ID:

6863264

Name [?]:

3-(4-benzyloxyphenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-prop-2-enamide

SMILES [?]:

Cc1ccc(cc1)c2c(sc(n2)NC(=O)C=Cc3ccc(cc3)OCc4ccccc4)C

InChi [?]:

InChI=1/C27H24N2O2S/c1-19-8-13-23(14-9-19)26-20(2)32-27(29-26)28-25(30)17-12-21-10-15-24(16-11-21)31-18-22-6-4-3-5-7-22/h3-17H,18H2,1-2H3,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,32,29,28,30,27,31,3,7,19,23,17,4,6,20,22,16,25,2,9,18,26,5,21,14,8,11,13,12,15,24,10/E:(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:32nCCCCCCCCCSCNNCOCCCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄N₂O₂S
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9395
Area:	692.15
Solvation:	-4.36424
Coulombic:	-37.8161

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	440.558
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.01
LogP (Chemaxon):	7.02

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