Chemical ID: 7684872

CCCCn1c2c(c(n1)C)c(cc(n2)C3CC3)C(=O)Nc4ccc(cc4F)F
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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