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Chemical ID: 7144820
Chemical ID:
7144820
Name [?]:
4-[[3-(2,3-dimethylphenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]benzaldehyde
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=O
InChi [?]:
InChI=1/C19H15NO3S/c1-12-4-3-5-16(13(12)2)20-18(22)17(24-19(20)23)10-14-6-8-15(11-21)9-7-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,3,5,15,19,16,18,13,20,2,7,14,17,6,12,10,23,9,21,11,24,22/E:(6,7)(8,9)/rA:24nCCCCCCCCNCOCCCCCCCCCOSCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;d20;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO3S |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51893 |
Area: | 531.578 |
Solvation: | -3.77053 |
Coulombic: | -35.8931 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.393 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.5 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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