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Chemical ID: 7140184
Chemical ID:
7140184
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2O3S/c1-26-18-11-10-14(12-19(18)27-2)13-20-21(25)24-22(28-20)23-17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,26,25,20,27,21,24,19,5,4,7,11,6,22,23,18,3,8,12,13,16,17,15,14,2,9,28/rA:28nCOCCCCCCOCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44963 |
Area: | 597.654 |
Solvation: | -5.49172 |
Coulombic: | -44.1595 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.456 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.92 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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