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Chemical ID: 7429038
Chemical ID:
7429038
Name [?]:
None
SMILES [?]:
Cc1ccccc1N2CCCn3c2nc4c3c(=O)n(c(=O)n4C)CC=C
InChi [?]:
InChI=1/C19H21N5O2/c1-4-10-24-17(25)15-16(21(3)19(24)26)20-18-22(11-7-12-23(15)18)14-9-6-5-8-13(14)2/h4-6,8-9H,1,7,10-12H2,2-3H3
InChi Info:
AuxInfo=1/0/N:26,1,23,25,4,5,10,3,6,24,9,11,2,7,16,15,17,13,20,14,22,8,12,19,18,21/rA:26nCCCCCCCNCCCNCNCCCONCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s8s12;d13;s14;s12d15;s16;d17;s17;s19;d20;s15s20;s22;s19;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5O2 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0974 |
Area: | 536.604 |
Solvation: | -2.31767 |
Coulombic: | -57.5998 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 351.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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