Chemical ID: 4898234

CC(C)OCCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)F)c4ccccc4F
Chemical ID:
4898234
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)F)c4ccccc4F
InChi [?]:
InChI=1/C23H21F2NO4/c1-13(2)29-11-5-10-26-20(15-6-3-4-7-17(15)25)19-21(27)16-12-14(24)8-9-18(16)30-22(19)23(26)28/h3-4,6-9,12-13,20H,5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,27,6,25,28,16,17,7,5,14,2,15,24,13,29,18,10,9,11,20,21,23,30,8,12,22,4,19/E:(1,2)/rA:30cCCCOCCCNCCCOCCCCCCOCCOFCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21F2NO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.98825
Area:615.222
Solvation:-6.3923
Coulombic:-48.9798
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.414
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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