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Chemical ID: 7140035
Chemical ID:
7140035
Name [?]:
2-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H16N2O3S/c1-2-23-15-9-5-13(6-10-15)19-18-20-17(22)16(24-18)11-12-3-7-14(21)8-4-12/h3-11,21H,2H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,22,6,8,19,21,5,9,16,17,7,20,4,15,13,11,10,12,23,14,3,24/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCOCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O3S |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56781 |
Area: | 545.027 |
Solvation: | -4.05785 |
Coulombic: | -52.0597 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 340.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.02 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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