Chemical ID: 4489189

CC(C)(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccccc5)F
Chemical ID:
4489189
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccccc5)F
InChi [?]:
InChI=1/C28H24FNO3/c1-28(2,3)19-11-9-18(10-12-19)24-23-25(31)21-15-20(29)13-14-22(21)33-26(23)27(32)30(24)16-17-7-5-4-6-8-17/h4-15,24H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,30,29,31,28,32,7,9,6,10,18,19,16,26,27,8,5,17,15,20,12,11,13,22,23,2,33,25,14,24,21/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:33cCCCCCCCCCCCCCOCCCCCCOCCONCCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24FNO3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.069
Area:648.084
Solvation:-4.13308
Coulombic:-41.0058
Bond Count [?]
All:37
Single:25
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:441.493
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.11
LogP (Chemaxon):6.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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