Chemical ID: 4132965

Cc1ccsc1C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccco4
Chemical ID:
4132965
Name [?]:
4-(2-furylcarbonyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-methyl-2-thienyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccsc1C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccco4
InChi [?]:
InChI=1/C19H15NO5S/c1-11-6-9-26-18(11)15-14(16(21)13-5-3-8-25-13)17(22)19(23)20(15)10-12-4-2-7-24-12/h2-9,15,22H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,24,15,23,3,17,25,4,13,2,14,22,8,7,20,9,6,10,12,21,19,11,18,26,5/rA:26cCCCCSCCCCCONCCCCCOOCOCCCCO/rB:s1;s2;d3;s4;d2s5;s6;s7;d8;s9;d10;s7s10;s12;s13;d14;s15;d16;s14s17;s9;s8;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.29007
Area:546.782
Solvation:-5.37948
Coulombic:-56.899
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.392
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.51
LogP (Chemaxon):1.78

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Descriptor Annotations

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