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Chemical ID: 7140237
Chemical ID:
7140237
Name [?]:
2-phenylimino-5-[[4-(p-tolylmethoxy)phenyl]methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4)S3
InChi [?]:
InChI=1/C24H20N2O2S/c1-17-7-9-19(10-8-17)16-28-21-13-11-18(12-14-21)15-22-23(27)26-24(29-22)25-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,24,28,3,7,4,6,12,14,11,15,16,8,2,13,5,23,10,17,18,21,22,20,19,9,29/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCOCCCCCCCCCONCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O2S |
All Atoms: | 49 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4468 |
Area: | 638.314 |
Solvation: | -3.51104 |
Coulombic: | -38.9372 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 400.494 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.15 |
LogP (Chemaxon): | 6.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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