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Chemical ID: 7680894
Chemical ID:
7680894
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)Nc4cnn(c4)C
InChi [?]:
InChI=1/C18H22N6O/c1-10(2)24-17-16(11(3)22-24)14(7-15(21-17)12-5-6-12)18(25)20-13-8-19-23(4)9-13/h7-10,12H,5-6H2,1-4H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:12,13,1,25,15,16,5,21,24,11,2,14,20,4,6,3,8,17,22,19,7,10,23,9,18/E:(1,2)(5,6)/rA:25nCCCCCCNCNNCCCCCCCONCCNNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s11;s11;s6;s14;s14s15;s4;d17;s17;s19;s20;d21;s22;d20s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N6O |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3474 |
Area: | 556.075 |
Solvation: | -3.55446 |
Coulombic: | -34.0306 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.85 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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