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Chemical ID: 7383480
Chemical ID:
7383480
Name [?]:
None
SMILES [?]:
Cc1ccccc1N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CC=C
InChi [?]:
InChI=1/C18H19N5O2/c1-4-9-23-16(24)14-15(20(3)18(23)25)19-17-21(10-11-22(14)17)13-8-6-5-7-12(13)2/h4-8H,1,9-11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:25,1,22,24,4,5,3,6,23,9,10,2,7,15,14,16,12,19,13,21,8,11,18,17,20/rA:25nCCCCCCCNCCNCNCCCONCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;d12;s13;s11d14;s15;d16;s16;s18;d19;s14s19;s21;s18;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N5O2 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7769 |
Area: | 528.748 |
Solvation: | -2.44176 |
Coulombic: | -57.4354 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 337.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.52 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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