Chemical ID: 6468870

CCCN1C(=O)C(=Cc2ccc(o2)Br)SC1=Nc3ccc(cc3)OC
Chemical ID:
6468870
Name [?]:
5-[(5-bromo-2-furyl)methylene]-2-(4-methoxyphenyl)imino-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccc(o2)Br)SC1=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C18H17BrN2O3S/c1-3-10-21-17(22)15(11-14-8-9-16(19)24-14)25-18(21)20-12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,19,23,20,22,10,11,3,8,18,21,9,7,12,5,16,14,17,4,6,24,13,15/E:(4,5)(6,7)/rA:25nCCCNCOCCCCCCOBrSCNCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;w7;s8;d9;s10;d11;s9s12;s12;s7;s4s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17BrN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.17864
Area:545.085
Solvation:-4.44849
Coulombic:-37.3152
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:421.309
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):4.54

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Descriptor Annotations

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