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Chemical ID: 7678811
Chemical ID:
7678811
Name [?]:
None
SMILES [?]:
COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCCC4)nn2
InChi [?]:
InChI=1/C18H20N6O3/c1-27-14-7-5-6-13(10-14)24-17-16(20-21-24)18(26)23(12-19-17)11-15(25)22-8-3-2-4-9-22/h5-7,10,12H,2-4,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,5,6,4,21,25,8,17,15,7,3,18,11,10,12,16,26,27,20,14,9,19,13,2/E:(3,4)(8,9)/rA:27nCOCCCCCCNCCCONCNCCONCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s23;s20s24;s11;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N6O3 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.28953 |
Area: | 571.583 |
Solvation: | -5.00005 |
Coulombic: | -50.2214 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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