Chemical ID: 5973129

CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3ccco3
Chemical ID:
5973129
Name [?]:
4-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(2-furylmethyl)butanamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3ccco3
InChi [?]:
InChI=1/C19H20N2O5/c1-13(22)14-6-7-17-16(10-14)21(19(24)12-26-17)8-2-5-18(23)20-11-15-4-3-9-25-15/h3-4,6-7,9-10H,2,5,8,11-12H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,16,24,23,17,5,6,15,25,9,21,13,2,4,22,8,7,18,11,20,10,3,19,12,26,14/rA:26nCCOCCCCCCNCOCOCCCCONCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;s16;s17;d18;s18;s20;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.62746
Area:595.241
Solvation:-6.25355
Coulombic:-57.49
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.373
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.73
LogP (Chemaxon):-0.01

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