Chemical ID: 5730247

Cc1ccc(o1)C(=C2C(N(C(=O)C2=O)c3cc(on3)C)c4cccnc4)O
Chemical ID:
5730247
Name [?]:
4-[hydroxy-(5-methyl-2-furyl)-methylene]-1-(5-methylisoxazol-3-yl)-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
Cc1ccc(o1)C(=C2C(N(C(=O)C2=O)c3cc(on3)C)c4cccnc4)O
InChi [?]:
InChI=1/C19H15N3O5/c1-10-5-6-13(26-10)17(23)15-16(12-4-3-7-20-9-12)22(19(25)18(15)24)14-8-11(2)27-21-14/h3-9,16,23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,23,22,3,4,24,16,26,2,17,21,5,15,8,9,7,13,11,25,19,10,27,14,12,6,18/rA:27cCCCCCOCCCNCOCOCCCONCCCCCNCO/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;s9;s10;d11;s8s11;d13;s10;s15;d16;s17;d15s18;s17;s9;s21;d22;s23;d24;d21s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.64158
Area:533.12
Solvation:-5.68641
Coulombic:-56.4133
Bond Count [?]
All:30
Single:20
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:365.34
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.09
LogP (Chemaxon):-0.93

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