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Chemical ID: 5561680
Chemical ID:
5561680
Name [?]:
2-(4-ethylphenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H16N2O2S/c1-2-12-3-7-14(8-4-12)19-18-20-17(22)16(23-18)11-13-5-9-15(21)10-6-13/h3-11,21H,2H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,17,21,5,7,18,20,15,3,16,6,19,14,12,10,9,11,22,13,23/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5354 |
Area: | 529.993 |
Solvation: | -2.71442 |
Coulombic: | -45.8565 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.398 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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