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Chemical ID: 7403325
Chemical ID:
7403325
Name [?]:
None
SMILES [?]:
Cc1ccccc1N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CCc5ccccc5
InChi [?]:
InChI=1/C23H23N5O2/c1-16-8-6-7-11-18(16)26-14-15-27-19-20(24-22(26)27)25(2)23(30)28(21(19)29)13-12-17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,28,27,29,4,5,3,26,30,6,24,23,9,10,2,25,7,15,14,16,12,19,13,21,8,11,18,17,20/E:(4,5)(9,10)/rA:30nCCCCCCCNCCNCNCCCONCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;d12;s13;s11d14;s15;d16;s16;s18;d19;s14s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N5O2 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7907 |
Area: | 618.283 |
Solvation: | -2.66637 |
Coulombic: | -57.7749 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 401.461 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.78 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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