Chemical ID: 5912142

c1ccc(cc1)OCC(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3)C4CC4
Chemical ID:
5912142
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3)C4CC4
InChi [?]:
InChI=1/C25H25FN2O4/c26-20-10-8-19(9-11-20)15-27(16-23-7-4-14-31-23)24(29)17-28(21-12-13-21)25(30)18-32-22-5-2-1-3-6-22/h1-11,14,21H,12-13,15-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,27,3,5,26,18,22,19,21,31,32,28,16,24,12,8,17,20,30,4,25,13,9,23,15,11,14,10,29,7/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:32nCCCCCCOCCONCCONCCCCCCCFCCCCCOCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;s25s28;s11;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25FN2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:9.01804
Area:629.348
Solvation:-6.71565
Coulombic:-52.0351
Bond Count [?]
All:35
Single:25
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:436.475
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.39
LogP (Chemaxon):3.17

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Experimental Annotations

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Descriptor Annotations

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