Chemical ID: 5541001

CCN1C(=O)C(=Cc2ccccc2OC)SC1=Nc3ccccc3
Chemical ID:
5541001
Name [?]:
3-ethyl-5-[(2-methoxyphenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccccc2OC)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-21-18(22)17(13-14-9-7-8-12-16(14)23-2)24-19(21)20-15-10-5-4-6-11-15/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,22,21,23,10,11,9,20,24,12,7,8,19,13,6,4,17,18,3,5,14,16/E:(5,6)(10,11)/rA:24nCCNCOCCCCCCCCOCSCNCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s6;s3s16;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0874
Area:518.574
Solvation:-2.877
Coulombic:-33.823
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.57
LogP (Chemaxon):4.69

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Experimental Annotations

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Descriptor Annotations

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