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Chemical ID: 7041749

CCOC(=O)c1ccc(cc1)c2ccc(o2)C=C3C(=O)N(C(=S)S3)Cc4ccc(cc4)F

Chemical ID:

7041749

Name [?]:

ethyl 4-[5-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-2-furyl]benzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)c2ccc(o2)C=C3C(=O)N(C(=S)S3)Cc4ccc(cc4)F

InChi [?]:

InChI=1/C24H18FNO4S2/c1-2-29-23(28)17-7-5-16(6-8-17)20-12-11-19(30-20)13-21-22(27)26(24(31)32-21)14-15-3-9-18(25)10-4-15/h3-13H,2,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,27,31,8,10,7,11,28,30,14,13,17,25,26,9,6,29,15,12,18,19,4,22,32,21,20,5,3,16,23,24/E:(3,4)(5,6)(7,8)(9,10)/rA:32nCCOCOCCCCCCCCCCOCCCONCSSCCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;d12;s13;d14;s12s15;s15;w17;s18;d19;s19;s21;d22;s18s22;s21;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈FNO₄S₂
All Atoms:	50
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1464
Area:	666.281
Solvation:	-4.51062
Coulombic:	-50.1343

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	467.534
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.71
LogP (Chemaxon):	5.01

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

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Chemical Mix	Source	External ID	Descriptor	Value