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Chemical ID: 6506966
Chemical ID:
6506966
Name [?]:
None
SMILES [?]:
CCCCN1c2cccnc2-c3c(cccn3)N(C1=O)CCCC
InChi [?]:
InChI=1/C19H24N4O/c1-3-5-13-22-15-9-7-11-20-17(15)18-16(10-8-12-21-18)23(19(22)24)14-6-4-2/h7-12H,3-6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,3,22,8,15,7,14,9,16,4,21,6,13,11,12,19,10,17,5,18,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(22,23)/rA:24nCCCCNCCCCNCCCCCCNNCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s14;d15;d12s16;s13;s5s18;d19;s18;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N4O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5426 |
Area: | 526.905 |
Solvation: | -2.63007 |
Coulombic: | -37.2182 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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