Chemical ID: 4570459

c1ccc(cc1)CC(C(=O)Nc2ccccc2F)NC(=O)N3CC4CC(C3)c5cccc(=O)n5C4
Chemical ID:
4570459
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC(C(=O)Nc2ccccc2F)NC(=O)N3CC4CC(C3)c5cccc(=O)n5C4
InChi [?]:
InChI=1/C27H27FN4O3/c28-21-9-4-5-10-22(21)29-26(34)23(14-18-7-2-1-3-8-18)30-27(35)31-15-19-13-20(17-31)24-11-6-12-25(33)32(24)16-19/h1-12,19-20,23H,13-17H2,(H,29,34)(H,30,35)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,30,3,5,16,13,29,31,25,7,23,35,27,4,24,26,17,12,8,28,32,9,20,18,11,19,22,34,33,10,21/E:(2,3)(7,8)/rA:35cCCCCCCCCCONCCCCCCFNCONCCCCCCCCCCONC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s8;s19;d20;s20;s22;s23;s24;s25;s22s26;s26;d28;s29;d30;s31;d32;s28s32;s24s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H27FN4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:3
ZAP Information [?]
Total:10.7649
Area:643.295
Solvation:-5.31751
Coulombic:-72.2933
Bond Count [?]
All:39
Single:28
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:474.527
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.29
LogP (Chemaxon):2.54

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Descriptor Annotations

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