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Chemical ID: 4911698
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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