Chemical ID: 5973136

CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCCC3
Chemical ID:
5973136
Name [?]:
8-acetyl-5-[3-(1-piperidylcarbonyl)propyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCCC3
InChi [?]:
InChI=1/C19H24N2O4/c1-14(22)15-7-8-17-16(12-15)21(19(24)13-25-17)11-5-6-18(23)20-9-3-2-4-10-20/h7-8,12H,2-6,9-11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,16,17,5,6,21,25,15,9,13,2,4,8,7,18,11,20,10,3,19,12,14/E:(3,4)(9,10)/rA:25nCCOCCCCCCNCOCOCCCCONCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.10874
Area:566.575
Solvation:-5.05564
Coulombic:-46.4623
Bond Count [?]
All:27
Single:21
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.405
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.33
LogP (Chemaxon):0.23

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