Chemical ID: 4911698

CCOC(=O)c1cn(c2c1C(=O)C(CC(=O)N2)C(=O)OCC)C
Chemical ID:
4911698
Name [?]:
diethyl 10-methyl-3,6-dioxo-2,10-diazabicyclo[5.3.0]deca-8,11-diene-5,8-dicarboxylate
SMILES [?]:
CCOC(=O)c1cn(c2c1C(=O)C(CC(=O)N2)C(=O)OCC)C
InChi [?]:
InChI=1/C15H18N2O6/c1-4-22-14(20)8-6-10(18)16-13-11(12(8)19)9(7-17(13)3)15(21)23-5-2/h7-8H,4-6H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:22,1,23,21,2,14,7,13,6,15,10,11,9,18,4,17,8,16,12,19,5,20,3/rA:23cCCOCOCCNCCCOCCCONCOOCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s10;d11;s11;s13;s14;d15;s9s15;s13;d18;s18;s20;s21;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.50597
Area:515.165
Solvation:-5.37315
Coulombic:-65.6308
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.313
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.26
LogP (Chemaxon):-0.11

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