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Chemical ID: 7142966

CCCCc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OCc4ccccc4Cl)S2

Chemical ID:

7142966

Name [?]:

2-(4-butylphenyl)amino-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylene]thiazol-4-one

SMILES [?]:

CCCCc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OCc4ccccc4Cl)S2

InChi [?]:

InChI=1/C27H25ClN2O2S/c1-2-3-8-19-13-15-22(16-14-19)29-27-30-26(31)25(33-27)17-20-9-5-7-12-24(20)32-18-21-10-4-6-11-23(21)28/h4-7,9-17H,2-3,8,18H2,1H3,(H,29,30,31)

InChi Info:

AuxInfo=1/1/N:1,2,3,28,20,29,21,4,19,27,30,22,6,10,7,9,17,25,5,18,26,8,31,23,16,14,12,32,11,13,15,24,33/E:(13,14)(15,16)/rA:33nCCCCCCCCCCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;d27;s28;d29;d26s30;s31;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅ClN₂O₂S
All Atoms:	58
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	15.7211
Area:	741.832
Solvation:	-2.82471
Coulombic:	-41.4817

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.64
LogP (Chemaxon):	None

Name Annotations

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

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