Chemical ID: 4904482

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCOC(C)C)c4ccccc4F
Chemical ID:
4904482
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCOC(C)C)c4ccccc4F
InChi [?]:
InChI=1/C25H26FNO4/c1-14(2)30-11-7-10-27-22(17-8-5-6-9-19(17)26)21-23(28)18-12-15(3)16(4)13-20(18)31-24(21)25(27)29/h5-6,8-9,12-14,22H,7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:23,24,1,8,27,28,19,26,29,18,20,3,6,22,2,7,25,4,30,5,11,14,12,10,16,31,15,13,17,21,9/E:(1,2)/rA:31cCCCCCCCCOCCCOCNCOCCCOCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s21;s22;s22;s14;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26FNO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.7644
Area:648.29
Solvation:-5.44284
Coulombic:-46.526
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:423.477
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.51
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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