Chemical ID: 6044844

CN1C2=C(C(NC1=O)c3cccc(c3)OC)C(=O)N(C2)CCN4CCOCC4
Chemical ID:
6044844
Name [?]:
5-(3-methoxyphenyl)-2-methyl-8-(2-morpholinoethyl)-2,4,8-triazabicyclo[4.3.0]non-10-ene-3,7-dione
SMILES [?]:
CN1C2=C(C(NC1=O)c3cccc(c3)OC)C(=O)N(C2)CCN4CCOCC4
InChi [?]:
InChI=1/C20H26N4O4/c1-22-16-13-24(7-6-23-8-10-28-11-9-23)19(25)17(16)18(21-20(22)26)14-4-3-5-15(12-14)27-2/h3-5,12,18H,6-11,13H2,1-2H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,16,11,10,12,22,21,24,28,25,27,14,20,9,13,3,4,5,17,7,6,2,23,19,18,8,15,26/E:(8,9)(10,11)/rA:28cCNCCCNCOCCCCCCOCCONCCCNCCOCC/rB:s1;s2;d3;s4;s5;s2s6;d7;s5;s9;d10;s11;d12;d9s13;s13;s15;s4;d17;s17;s3s19;s19;s21;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.92464
Area:594.344
Solvation:-5.93396
Coulombic:-66.486
Bond Count [?]
All:31
Single:25
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.445
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:-0.5
LogP (Chemaxon):-1.07

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Descriptor Annotations

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