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Chemical ID: 7684872
Chemical ID:
7684872
Name [?]:
None
SMILES [?]:
CCCCn1c2c(c(n1)C)c(cc(n2)C3CC3)C(=O)Nc4ccc(cc4F)F
InChi [?]:
InChI=1/C21H22F2N4O/c1-3-4-9-27-20-19(12(2)26-27)15(11-18(24-20)13-5-6-13)21(28)25-17-8-7-14(22)10-16(17)23/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,10,2,3,16,17,23,22,4,25,12,8,15,24,11,26,21,13,7,6,18,28,27,14,20,9,5,19/E:(5,6)/rA:28nCCCCNCCCNCCCCNCCCCONCCCCCCFF/rB:s1;s2;s3;s4;s5;s6;s7;s5d8;s8;d7;s11;d12;d6s13;s13;s15;s15s16;s11;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22F2N4O |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0648 |
Area: | 598.49 |
Solvation: | -3.89746 |
Coulombic: | -38.7954 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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