Chemical ID: 7140112

COc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3OC)OC)S2
Chemical ID:
7140112
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-6-4-12(5-7-13)10-17-18(22)21-19(26-17)20-15-9-8-14(24-2)11-16(15)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,5,7,4,8,18,17,9,20,6,3,19,16,21,10,11,14,15,13,12,2,24,22,26/E:(4,5)(6,7)/rA:26nCOCCCCCCCCCONCNCCCCCCOCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.44678
Area:577.889
Solvation:-6.00043
Coulombic:-49.6148
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:2.84
LogP (Chemaxon):3.59

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Descriptor Annotations

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