Chemical ID: 4851917

CCOC(=O)c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)Cl)S2)C
Chemical ID:
4851917
Name [?]:
ethyl 4-[5-[(4-chlorophenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)Cl)S2)C
InChi [?]:
InChI=1/C20H17ClN2O3S/c1-3-26-19(25)14-6-10-16(11-7-14)22-20-23(2)18(24)17(27-20)12-13-4-8-15(21)9-5-13/h4-12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,20,24,7,11,21,23,8,10,18,19,6,22,9,17,15,4,13,25,12,14,16,5,3,26/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCOCOCCCCCCNCNCOCCCCCCCCClSC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClN2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5711
Area:609.806
Solvation:-2.67408
Coulombic:-45.888
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:400.879
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.22
LogP (Chemaxon):5.01

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Descriptor Annotations

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