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Chemical ID: 7140112
Chemical ID:
7140112
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-6-4-12(5-7-13)10-17-18(22)21-19(26-17)20-15-9-8-14(24-2)11-16(15)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,5,7,4,8,18,17,9,20,6,3,19,16,21,10,11,14,15,13,12,2,24,22,26/E:(4,5)(6,7)/rA:26nCOCCCCCCCCCONCNCCCCCCOCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44678 |
Area: | 577.889 |
Solvation: | -6.00043 |
Coulombic: | -49.6148 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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