Chemical ID: 5123936

c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
Chemical ID:
5123936
Name [?]:
1-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
InChi [?]:
InChI=1/C15H9N3O4S/c19-12-9-4-1-2-5-10(9)18(14(12)20)8-23-15-17-16-13(22-15)11-6-3-7-21-11/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,21,6,3,20,22,12,5,4,19,7,17,9,14,16,15,11,8,10,23,18,13/rA:23nCCCCCCCOCONCSCNNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;s13;d14;s15;d16;s14s17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9N3O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.42618
Area:497.761
Solvation:-4.01785
Coulombic:-50.0075
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.316
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.44
LogP (Chemaxon):2.2

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