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Chemical ID: 3968179
Chemical ID:
3968179
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)CC(=O)N2c3ccccc3C(=O)Nc4c2nccc4
InChi [?]:
InChI=1/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,15,14,25,16,26,13,24,3,7,4,6,8,17,21,12,9,22,18,23,20,2,5,11,10,19/E:(9,10)(11,12)/rA:26nCNCCNCCCCONCCCCCCCONCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s11s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47585 |
Area: | 534.626 |
Solvation: | -3.88981 |
Coulombic: | -52.2428 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 351.403 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.58 |
LogP (Chemaxon): | 0.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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