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Chemical ID: 7679130
Chemical ID:
7679130
Name [?]:
None
SMILES [?]:
CCOC(=O)C(C)n1cnc2c(c1=O)nnn2c3cccc(c3)OC
InChi [?]:
InChI=1/C16H17N5O4/c1-4-25-16(23)10(2)20-9-17-14-13(15(20)22)18-19-21(14)11-6-5-7-12(8-11)24-3/h5-10H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,25,2,20,19,21,23,9,6,18,22,12,11,13,4,10,15,16,8,17,14,5,24,3/rA:25cCCOCOCCNCNCCCONNNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N5O4 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.54309 |
Area: | 549.55 |
Solvation: | -4.19567 |
Coulombic: | -54.0142 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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