Chemical ID: 3951263

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NCc3ccc4c(c3)OCO4
Chemical ID:
3951263
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C19H18N2O5/c1-12-2-4-15-14(6-12)21(19(23)10-24-15)9-18(22)20-8-13-3-5-16-17(7-13)26-11-25-16/h2-7H,8-11H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,19,4,20,7,23,17,13,11,25,2,18,6,5,21,22,14,9,16,8,15,10,12,26,24/rA:26nCCCCCCCNCOCOCCONCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.06987
Area:557.796
Solvation:-5.87503
Coulombic:-61.4404
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.357
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.87
LogP (Chemaxon):1.45

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