Chemical ID: 6042787

Cc1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NCCC(C)C
Chemical ID:
6042787
Name [?]:
N-isopentyl-5-[(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C20H24N2O4/c1-13(2)8-9-21-20(24)18-7-5-15(26-18)11-22-16-10-14(3)4-6-17(16)25-12-19(22)23/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:25,26,1,3,15,4,16,23,22,7,13,11,24,2,14,6,5,17,9,19,21,8,10,20,12,18/E:(1,2)/rA:26nCCCCCCCNCOCOCCCCCOCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s15;d16;s14s17;s17;d19;s19;s21;s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1396
Area:590.445
Solvation:-3.62156
Coulombic:-56.692
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.416
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.91
LogP (Chemaxon):1.99

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