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Chemical ID: 7140396

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)NC(=Nc4ccccc4)S3

Chemical ID:

7140396

Name [?]:

5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-2-phenylimino-thiazolidin-4-one

SMILES [?]:

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)NC(=Nc4ccccc4)S3

InChi [?]:

InChI=1/C25H21ClN2O3S/c1-2-30-22-14-17(12-13-21(22)31-16-18-8-6-7-11-20(18)26)15-23-24(29)28-25(32-23)27-19-9-4-3-5-10-19/h3-15H,2,16H2,1H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,29,28,30,14,15,13,27,31,16,7,8,5,19,11,6,12,26,17,9,4,20,21,24,18,25,23,22,3,10,32/E:(4,5)(9,10)/rA:32nCCOCCCCCCOCCCCCCCClCCCONCNCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁ClN₂O₃S
All Atoms:	53
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6256
Area:	703.022
Solvation:	-4.94999
Coulombic:	-46.3437

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	464.965
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.41
LogP (Chemaxon):	6.48

Name Annotations

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

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