Chemical ID: 5973075

CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCN3CCCCC3
Chemical ID:
5973075
Name [?]:
2-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[2-(1-piperidyl)ethyl]acetamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCN3CCCCC3
InChi [?]:
InChI=1/C19H25N3O4/c1-14(23)15-5-6-17-16(11-15)22(19(25)13-26-17)12-18(24)20-7-10-21-8-3-2-4-9-21/h5-6,11H,2-4,7-10,12-13H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,5,6,19,22,26,20,9,15,13,2,4,8,7,16,11,18,21,10,3,17,12,14/E:(3,4)(8,9)/rA:26nCCOCCCCCCNCOCOCCONCCNCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;d16;s16;s18;s19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.91517
Area:585.799
Solvation:-5.72981
Coulombic:-56.1687
Bond Count [?]
All:28
Single:22
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.42
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.52
LogP (Chemaxon):-0.47

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