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Chemical ID: 7678045
Chemical ID:
7678045
Name [?]:
None
SMILES [?]:
CCOC(=O)CNC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)C
InChi [?]:
InChI=1/C17H18N6O4/c1-3-27-14(25)8-18-13(24)9-22-10-19-16-15(17(22)26)20-21-23(16)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,18,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,23,25,22,26,6,10,12,24,21,8,4,15,14,16,7,13,18,19,11,20,9,5,17,3/E:(4,5)(6,7)/rA:27nCCOCOCNCOCNCNCCCONNNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N6O4 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5764 |
Area: | 602.887 |
Solvation: | -4.49572 |
Coulombic: | -66.9099 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.2 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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