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Chemical ID: 6585952

Cc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3OCc4ccccc4

Chemical ID:

6585952

Name [?]:

2-benzyloxy-N-[4-(p-tolyl)thiazol-2-yl]-benzamide

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3OCc4ccccc4

InChi [?]:

InChI=1/C24H20N2O2S/c1-17-11-13-19(14-12-17)21-16-29-24(25-21)26-23(27)20-9-5-6-10-22(20)28-15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,18,19,25,29,17,20,3,7,4,6,23,9,2,24,5,16,8,21,14,11,12,13,15,22,10/E:(3,4)(7,8)(11,12)(13,14)/rA:29nCCCCCCCCCSCNNCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.185
Area:	638.056
Solvation:	-4.76636
Coulombic:	-37.0779

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	400.494
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.89
LogP (Chemaxon):	6.44

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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