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Chemical ID: 7675159
Chemical ID:
7675159
Name [?]:
None
SMILES [?]:
Cc1ccnn1CC(=O)NCCNC(=O)c2cc(nc3c2c(nn3c4ccccc4)C)C
InChi [?]:
InChI=1/C23H25N7O2/c1-15-13-19(21-17(3)28-30(22(21)27-15)18-7-5-4-6-8-18)23(32)25-12-11-24-20(31)14-29-16(2)9-10-26-29/h4-10,13H,11-12,14H2,1-3H3,(H,24,31)(H,25,32)
InChi Info:
AuxInfo=1/1/N:32,1,31,28,27,29,26,30,3,4,11,12,17,7,18,2,22,25,16,8,21,20,14,10,13,5,19,23,6,24,9,15/E:(5,6)(7,8)/rA:32nCCCCNNCCONCCNCOCCCNCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s20s23;s24;s25;d26;s27;d28;d25s29;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N7O2 |
All Atoms: | 57 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.6216 |
Area: | 691.261 |
Solvation: | -5.65995 |
Coulombic: | -55.0019 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.65 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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