Chemical ID: 7140040

COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
Chemical ID:
7140040
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-13-7-8-14(15(10-13)24-2)19-18-20-17(22)16(25-18)9-11-3-5-12(21)6-4-11/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,19,23,20,22,4,5,17,8,18,21,3,6,7,16,14,12,11,13,24,15,2,9,25/E:(3,4)(5,6)/rA:25nCOCCCCCCOCNCNCOCCCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.16831
Area:552.477
Solvation:-5.64361
Coulombic:-58.3317
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.52
LogP (Chemaxon):3.56

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