Chemical ID: 5973479

c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)N4CCOCC4
Chemical ID:
5973479
Name [?]:
5-[(5-morpholinocarbonyl-2-furyl)methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)N4CCOCC4
InChi [?]:
InChI=1/C18H18N2O5/c21-17-12-24-15-4-2-1-3-14(15)20(17)11-13-5-6-16(25-13)18(22)19-7-9-23-10-8-19/h1-6H,7-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,15,21,25,22,24,12,10,13,5,4,16,8,18,20,7,9,19,23,11,17/E:(7,8)(9,10)/rA:25nCCCCCCNCOCOCCCCCOCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s14;d15;s13s16;s16;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.00677
Area:516.035
Solvation:-4.8941
Coulombic:-59.2034
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.346
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.36
LogP (Chemaxon):-0.11

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