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Chemical ID: 7679740
Chemical ID:
7679740
Name [?]:
None
SMILES [?]:
CCCn1c2c(c(n1)C)c(cc(n2)C)C(=O)Nc3cc(ccc3C)C
InChi [?]:
InChI=1/C20H24N4O/c1-6-9-24-19-18(15(5)23-24)16(11-14(4)21-19)20(25)22-17-10-12(2)7-8-13(17)3/h7-8,10-11H,6,9H2,1-5H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,25,24,14,9,2,21,22,3,19,11,20,23,12,7,10,18,6,5,15,13,17,8,4,16/rA:25nCCCNCCCNCCCCNCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4d7;s7;d6;s10;d11;d5s12;s12;s10;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N4O |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1782 |
Area: | 555.361 |
Solvation: | -2.70586 |
Coulombic: | -31.4303 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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