Chemical ID: 5973079

CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCC(CC3)C(=O)N
Chemical ID:
5973079
Name [?]:
1-[2-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)acetyl]piperidine-4-carboxamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCC(CC3)C(=O)N
InChi [?]:
InChI=1/C18H21N3O5/c1-11(22)13-2-3-15-14(8-13)21(17(24)10-26-15)9-16(23)20-6-4-12(5-7-20)18(19)25/h2-3,8,12H,4-7,9-10H2,1H3,(H2,19,25)
InChi Info:
AuxInfo=1/1/N:1,5,6,20,22,19,23,9,15,13,2,21,4,8,7,16,11,24,26,18,10,3,17,12,25,14/E:(4,5)(6,7)/rA:26nCCOCCCCCCNCOCOCCONCCCCCCON/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.38466
Area:560.382
Solvation:-6.6249
Coulombic:-70.3777
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.377
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:-0.86
LogP (Chemaxon):-1.74

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