Chemical ID: 3926637

c1ccc(cc1)N(C(c2ccc(cc2)F)C(=O)NC3CCCCC3)C(=O)CNC(=O)c4ccco4
Chemical ID:
3926637
Name [?]:
N-[[[cyclohexylcarbamoyl-(4-fluorophenyl)-methyl]-phenyl-carbamoyl]methyl]furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)N(C(c2ccc(cc2)F)C(=O)NC3CCCCC3)C(=O)CNC(=O)c4ccco4
InChi [?]:
InChI=1/C27H28FN3O4/c28-20-15-13-19(14-16-20)25(27(34)30-21-8-3-1-4-9-21)31(22-10-5-2-6-11-22)24(32)18-29-26(33)23-12-7-17-35-23/h2,5-7,10-17,21,25H,1,3-4,8-9,18H2,(H,29,33)(H,30,34)
InChi Info:
AuxInfo=1/1/N:22,1,21,23,2,6,33,20,24,3,5,32,10,14,11,13,34,27,9,12,19,4,31,25,8,29,16,15,28,18,7,26,30,17,35/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:35cCCCCCCNCCCCCCCFCONCCCCCCCOCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s8;d16;s16;s18;s19;s20;s21;s22;s19s23;s7;d25;s25;s27;s28;d29;s29;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28FN3O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.0327
Area:694.522
Solvation:-5.3303
Coulombic:-74.1524
Bond Count [?]
All:38
Single:27
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:477.527
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.74
LogP (Chemaxon):3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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