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Chemical ID: 7414744
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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Experimental Annotations
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Descriptor Annotations
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