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Chemical ID: 7683637
Chemical ID:
7683637
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2cc(nc3c2c(nn3C)C)c4c(nn(c4C)C)C)F
InChi [?]:
InChI=1/C22H23FN6O/c1-11-7-8-16(23)17(9-11)25-22(30)15-10-18(19-12(2)26-28(5)14(19)4)24-21-20(15)13(3)27-29(21)6/h7-10H,1-6H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,29,21,27,28,20,3,4,7,12,2,23,17,26,11,5,6,13,22,16,15,9,30,14,8,24,18,25,19,10/rA:30nCCCCCCCNCOCCCNCCCNNCCCCNNCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s15s18;s19;s17;s13;s22;d23;s24;d22s25;s26;s25;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23FN6O |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1059 |
Area: | 619.237 |
Solvation: | -4.37502 |
Coulombic: | -38.1345 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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