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Chemical ID: 6463477
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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