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Chemical ID: 5912142
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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