Chemical ID: 6735771

Cc1ccc2c(c1)N(C(=O)CO2)CCC(=O)NCc3ccco3
Chemical ID:
6735771
Name [?]:
N-(2-furylmethyl)-3-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-propanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCC(=O)NCc3ccco3
InChi [?]:
InChI=1/C17H18N2O4/c1-12-4-5-15-14(9-12)19(17(21)11-23-15)7-6-16(20)18-10-13-3-2-8-22-13/h2-5,8-9H,6-7,10-11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,3,4,14,13,22,7,18,11,2,19,6,5,15,9,17,8,16,10,23,12/rA:23nCCCCCCCNCOCOCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;d15;s15;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O4
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.74247
Area:530.043
Solvation:-4.50862
Coulombic:-51.5705
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.336
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.97
LogP (Chemaxon):0.9

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