Chemical ID: 7415669

CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)F)c4ccc(cc4)F
Chemical ID:
7415669
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)F)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H20F2N2O3/c1-25(2)10-3-11-26-19(13-4-6-14(23)7-5-13)18-20(27)16-12-15(24)8-9-17(16)29-21(18)22(26)28/h4-9,12,19H,3,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,24,28,25,27,15,16,4,6,13,23,26,14,12,17,9,8,10,19,20,29,22,2,7,11,21,18/E:(1,2)(4,5)(6,7)/rA:29cCNCCCCNCCCOCCCCCCOCCOFCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20F2N2O3
All Atoms:49
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.64955
Area:563.543
Solvation:-5.43902
Coulombic:-46.0991
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:398.403
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.95
LogP (Chemaxon):2.97

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Descriptor Annotations

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