Chemical ID: 4857397

COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
4857397
Name [?]:
2-phenylimino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-9-12(10-15(24-2)17(14)25-3)11-16-18(22)21-19(26-16)20-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,10,23,22,24,21,25,4,6,13,5,20,3,7,14,8,15,18,19,17,16,2,11,9,26/E:(1,2)(5,6)(7,8)(9,10)(14,15)(23,24)/rA:26nCOCCCCCCOCOCCCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.87418
Area:566.748
Solvation:-6.29453
Coulombic:-50.4816
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:2.44
LogP (Chemaxon):3.59

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Descriptor Annotations

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