Chemical ID: 4796314

CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)F
Chemical ID:
4796314
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)F
InChi [?]:
InChI=1/C25H20FNO5/c1-2-11-30-17-8-5-15(6-9-17)22-21-23(28)19-13-16(26)7-10-20(19)32-24(21)25(29)27(22)14-18-4-3-12-31-18/h3-10,12-13,22H,2,11,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,28,7,9,18,6,10,19,3,30,16,26,8,17,5,27,15,20,12,11,13,22,23,32,25,14,24,4,31,21/E:(5,6)(8,9)/rA:32cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCOF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;d27;s28;d29;s27s30;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20FNO5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.12187
Area:642.952
Solvation:-6.95193
Coulombic:-51.3065
Bond Count [?]
All:36
Single:25
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:433.428
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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