Chemical ID: 5561680

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
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

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Descriptor Annotations

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