Chemical ID: 6044849

CN1C2=C(C(NC1=O)c3cccc(c3)OC)C(=O)N(C2)CCOC
Chemical ID:
6044849
Name [?]:
8-(2-methoxyethyl)-5-(3-methoxyphenyl)-2-methyl-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)CCOC
InChi [?]:
InChI=1/C17H21N3O4/c1-19-13-10-20(7-8-23-2)16(21)14(13)15(18-17(19)22)11-5-4-6-12(9-11)24-3/h4-6,9,15H,7-8,10H2,1-3H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,24,16,11,10,12,21,22,14,20,9,13,3,4,5,17,7,6,2,19,18,8,23,15/rA:24cCNCCCNCOCCCCCCOCCONCCCOC/rB:s1;s2;d3;s4;s5;s2s6;d7;s5;s9;d10;s11;d12;d9s13;s13;s15;s4;d17;s17;s3s19;s19;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.89851
Area:527.289
Solvation:-5.28371
Coulombic:-61.4866
Bond Count [?]
All:26
Single:20
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.366
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:-0.15
LogP (Chemaxon):-0.87

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