Chemical ID: 4132963

c1cc(oc1)C(=O)C2=C(C(=O)N(C2c3cccs3)CC4CCCO4)O
Chemical ID:
4132963
Name [?]:
4-(2-furylcarbonyl)-3-hydroxy-1-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(oc1)C(=O)C2=C(C(=O)N(C2c3cccs3)CC4CCCO4)O
InChi [?]:
InChI=1/C18H17NO5S/c20-16(12-5-2-8-24-12)14-15(13-6-3-9-25-13)19(18(22)17(14)21)10-11-4-1-7-23-11/h2-3,5-6,8-9,11,15,21H,1,4,7,10H2
InChi Info:
AuxInfo=1/0/N:22,1,16,21,2,15,23,5,17,19,20,3,14,8,13,6,9,10,12,7,25,11,24,4,18/rA:25cCCCOCCOCCCONCCCCCSCCCCCOO/rB:s1;d2;s3;d1s4;s3;d6;s6;d8;s9;d10;s10;s8s12;s13;d14;s15;d16;s14s17;s12;s19;s20;s21;s22;s20s23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO5S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:8.81986
Area:546.369
Solvation:-4.83938
Coulombic:-59.0254
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.397
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.31
LogP (Chemaxon):0.82

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