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Chemical ID: 7143056

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC

Chemical ID:

7143056

Name [?]:

5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC

InChi [?]:

InChI=1/C27H25ClN2O5S/c1-4-34-24-13-18(7-12-22(24)35-16-17-5-8-19(28)9-6-17)14-25-26(31)30-27(36-25)29-21-11-10-20(32-2)15-23(21)33-3/h5-15H,4,16H2,1-3H3,(H,29,30,31)

InChi Info:

AuxInfo=1/1/N:1,36,34,2,13,17,7,14,16,29,28,8,5,19,31,11,12,6,15,30,27,9,32,4,20,21,24,18,26,23,22,35,33,3,10,25/E:(5,6)(8,9)/rA:36nCCOCCCCCCOCCCCCCCClCCCONCSNCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;d21;s21;d23;s20s24;s24;s26;s27;d28;s29;d30;d27s31;s32;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅ClN₂O₅S
All Atoms:	61
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	12.2197
Area:	793.413
Solvation:	-7.61564
Coulombic:	-59.6139

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.5
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