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Chemical ID: 7140499

COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2

Chemical ID:

7140499

Name [?]:

5-[[5-(3-chlorophenyl)-2-furyl]methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one

SMILES [?]:

COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2

InChi [?]:

InChI=1/C21H15ClN2O3S/c1-26-16-7-5-15(6-8-16)23-21-24-20(25)19(28-21)12-17-9-10-18(27-17)13-3-2-4-14(22)11-13/h2-12H,1H3,(H,23,24,25)

InChi Info:

AuxInfo=1/1/N:1,23,22,24,5,7,4,8,17,18,26,15,21,25,6,3,16,19,14,12,10,27,9,11,13,2,20,28/E:(5,6)(7,8)/rA:28nCOCCCCCCNCNCOCCCCCCOCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s25;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₅ClN₂O₃S
All Atoms:	43
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5995
Area:	610.12
Solvation:	-4.65352
Coulombic:	-42.2772

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	4
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	410.874
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.28
LogP (Chemaxon):	5.01

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