Chemical ID: 6041828

CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCc3ccco3
Chemical ID:
6041828
Name [?]:
N-(2-furylmethyl)-2-(4-oxo-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCc3ccco3
InChi [?]:
InChI=1/C19H22N2O4/c1-19(2,3)13-6-7-16-15(9-13)21(18(23)12-25-16)11-17(22)20-10-14-5-4-8-24-14/h4-9H,10-12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,22,6,7,24,10,20,16,14,5,21,9,8,17,12,2,19,11,18,13,25,15/E:(1,2,3)/rA:25nCCCCCCCCCCNCOCOCCONCCCCCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;d17;s17;s19;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.55971
Area:557.103
Solvation:-5.36787
Coulombic:-52.0921
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.389
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.19
LogP (Chemaxon):1.87

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