Chemical ID: 5540466

COC(=O)c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)F)S2
Chemical ID:
5540466
Name [?]:
methyl 4-[5-[(4-fluorophenyl)methylene]-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)F)S2
InChi [?]:
InChI=1/C18H13FN2O3S/c1-24-17(23)12-4-8-14(9-5-12)20-18-21-16(22)15(25-18)10-11-2-6-13(19)7-3-11/h2-10H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,23,6,10,20,22,7,9,17,18,5,21,8,16,14,3,12,24,11,13,15,4,2,25/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCOCOCCCCCCNCNCOCCCCCCCCFS/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13FN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1488
Area:553.005
Solvation:-3.67635
Coulombic:-52.3503
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:356.372
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.19
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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