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Chemical ID: 7740907
Chemical ID:
7740907
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2c(nc3n2cc(n3c4cccc(c4)C)C)n(c1=O)C
InChi [?]:
InChI=1/C19H21N5O2/c1-5-9-22-17(25)15-16(21(4)19(22)26)20-18-23(15)11-13(3)24(18)14-8-6-7-12(2)10-14/h6-8,10-11H,5,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,22,26,2,17,18,16,3,20,12,19,13,15,7,8,5,10,24,9,23,4,11,14,6,25/rA:26nCCCNCOCCNCNCCNCCCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s19;s13;s8;s4s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5O2 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.621 |
Area: | 552.632 |
Solvation: | -2.19484 |
Coulombic: | -55.2789 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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