Chemical ID: 7414744

CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)F)c4ccccc4F
Chemical ID:
7414744
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)F)c4ccccc4F
InChi [?]:
InChI=1/C22H20F2N2O3/c1-25(2)10-5-11-26-19(14-6-3-4-7-16(14)24)18-20(27)15-12-13(23)8-9-17(15)29-21(18)22(26)28/h3-4,6-9,12,19H,5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,25,26,5,24,27,15,16,4,6,13,14,23,12,28,17,9,8,10,19,20,22,29,2,7,11,21,18/E:(1,2)/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20F2N2O3
All Atoms:49
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.29975
Area:586.973
Solvation:-5.37457
Coulombic:-46.1384
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

Name Annotations

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Descriptor Annotations

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