Chemical ID: 5973078

CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCc3ccccn3
Chemical ID:
5973078
Name [?]:
2-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[2-(2-pyridyl)ethyl]acetamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCc3ccccn3
InChi [?]:
InChI=1/C19H19N3O4/c1-13(23)14-5-6-17-16(10-14)22(19(25)12-26-17)11-18(24)21-9-7-15-4-2-3-8-20-15/h2-6,8,10H,7,9,11-12H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,5,6,20,25,19,9,15,13,2,4,21,8,7,16,11,26,18,10,3,17,12,14/rA:26nCCOCCCCCCNCOCOCCONCCCCCCCN/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.23293
Area:579.016
Solvation:-6.24246
Coulombic:-55.6381
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.372
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.51
LogP (Chemaxon):-0.37

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