Chemical ID: 6721823

Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCC3CCCO3
Chemical ID:
6721823
Name [?]:
4-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCC3CCCO3
InChi [?]:
InChI=1/C18H24N2O4/c1-13-6-7-16-15(10-13)20(18(22)12-24-16)8-2-5-17(21)19-11-14-4-3-9-23-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,14,22,21,15,3,4,13,23,7,19,11,2,20,6,5,16,9,18,8,17,10,24,12/rA:24cCCCCCCCNCOCOCCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O4
All Atoms:48
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.77904
Area:562.635
Solvation:-5.28685
Coulombic:-52.2502
Bond Count [?]
All:26
Single:21
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.394
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.27
LogP (Chemaxon):0.65

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Descriptor Annotations

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