Chemical ID: 6463477

COc1ccc(c2c1cccc2)C=C3C(=O)NC(=Nc4cccc(c4)Cl)S3
Chemical ID:
6463477
Name [?]:
2-(3-chlorophenyl)imino-5-[(4-methoxy-1-naphthyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c2c1cccc2)C=C3C(=O)NC(=Nc4cccc(c4)Cl)S3
InChi [?]:
InChI=1/C21H15ClN2O2S/c1-26-18-10-9-13(16-7-2-3-8-17(16)18)11-19-20(25)24-21(27-19)23-15-6-4-5-14(22)12-15/h2-12H,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,11,10,22,23,21,12,9,5,4,13,25,6,24,20,7,8,3,14,15,18,26,19,17,16,2,27/rA:27nCOCCCCCCCCCCCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;s6;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5532
Area:593.943
Solvation:-3.29537
Coulombic:-37.9626
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:394.875
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.89
LogP (Chemaxon):5.62

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Descriptor Annotations

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