Chemical ID: 5973579

CC(=O)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)N4CCCC4
Chemical ID:
5973579
Name [?]:
8-acetyl-5-[(5-pyrrolidin-1-ylcarbonyl-2-furyl)methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)N4CCCC4
InChi [?]:
InChI=1/C20H20N2O5/c1-13(23)14-4-6-17-16(10-14)22(19(24)12-26-17)11-15-5-7-18(27-15)20(25)21-8-2-3-9-21/h4-7,10H,2-3,8-9,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,26,5,17,6,18,24,27,9,15,13,2,4,16,8,7,19,11,21,23,10,3,12,22,14,20/E:(2,3)(8,9)/rA:27nCCOCCCCCCNCOCOCCCCCOCONCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;d16;s17;d18;s16s19;s19;d21;s21;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.73484
Area:544.254
Solvation:-4.87151
Coulombic:-57.378
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.383
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.11
LogP (Chemaxon):-0.13

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