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Chemical ID: 4857397
Chemical ID:
4857397
Name [?]:
2-phenylimino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-9-12(10-15(24-2)17(14)25-3)11-16-18(22)21-19(26-16)20-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,10,23,22,24,21,25,4,6,13,5,20,3,7,14,8,15,18,19,17,16,2,11,9,26/E:(1,2)(5,6)(7,8)(9,10)(14,15)(23,24)/rA:26nCOCCCCCCOCOCCCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87418 |
Area: | 566.748 |
Solvation: | -6.29453 |
Coulombic: | -50.4816 |
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: | 2.44 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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