Chemical ID: 6042089

Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CC(OC(C3)C)C
Chemical ID:
6042089
Name [?]:
5-[3-(2,6-dimethylmorpholin-4-yl)carbonylpropyl]-8-methyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CC(OC(C3)C)C
InChi [?]:
InChI=1/C19H26N2O4/c1-13-6-7-17-16(9-13)21(19(23)12-24-17)8-4-5-18(22)20-10-14(2)25-15(3)11-20/h6-7,9,14-15H,4-5,8,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,25,14,15,3,4,13,7,23,19,11,2,22,20,6,5,16,9,18,8,17,10,12,21/E:(2,3)(10,11)(14,15)/rA:25cCCCCCCCNCOCOCCCCONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:9.11275
Area:570.73
Solvation:-5.15551
Coulombic:-47.9764
Bond Count [?]
All:27
Single:22
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.421
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.58
LogP (Chemaxon):1.15

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