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Chemical ID: 6164535
Chemical ID:
6164535
Name [?]:
5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1O)OC)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-13-8-11(9-14(24-2)16(13)21)10-15-17(22)20-18(25-15)19-12-6-4-3-5-7-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,11,22,21,23,20,24,4,6,12,5,19,3,7,13,8,14,17,18,16,9,15,2,10,25/E:(1,2)(4,5)(6,7)(8,9)(13,14)(23,24)/rA:25nCOCCCCCCOOCCCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s5;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71436 |
Area: | 546.461 |
Solvation: | -5.94717 |
Coulombic: | -59.0306 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.52 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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