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Chemical ID: 5940520

Cc1ccccc1C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)OC

Chemical ID:

5940520

Name [?]:

N-[4-[2-(3-methoxyphenyl)aminothiazol-4-yl]phenyl]-2-methyl-benzamide

SMILES [?]:

Cc1ccccc1C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)OC

InChi [?]:

InChI=1/C24H21N3O2S/c1-16-6-3-4-9-21(16)23(28)25-18-12-10-17(11-13-18)22-15-30-24(27-22)26-19-7-5-8-20(14-19)29-2/h3-15H,1-2H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,30,4,5,25,3,24,26,6,13,15,12,16,28,18,2,14,11,23,27,7,17,8,20,10,22,21,9,29,19/E:(10,11)(12,13)/rA:30nCCCCCCCCONCCCCCCCCSCNNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s18;s19;s17d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁N₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2145
Area:	647.488
Solvation:	-3.97266
Coulombic:	-48.324

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	415.509
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.39
LogP (Chemaxon):	5.91

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