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Chemical ID: 7741386
Chemical ID:
7741386
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2n1C)n(c(=O)n(c3=O)CCc4ccccc4)C
InChi [?]:
InChI=1/C18H19N5O2/c1-12-11-23-14-15(19-17(23)20(12)2)21(3)18(25)22(16(14)24)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,25,22,21,23,20,24,18,17,3,2,19,5,6,15,8,12,7,9,11,14,4,16,13/E:(5,6)(7,8)/rA:25nCCCNCCNCNCNCONCOCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s9;s6;s11;d12;s12;s5s14;d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N5O2 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9658 |
Area: | 534.748 |
Solvation: | -2.40286 |
Coulombic: | -55.4951 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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