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Chemical ID: 6017017
Chemical ID:
6017017
Name [?]:
4-ethyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccc(cc3)CC
InChi [?]:
InChI=1/C26H29FN2O3/c1-3-15-28(26(31)22-11-7-20(4-2)8-12-22)19-25(30)29(18-24-6-5-16-32-24)17-21-9-13-23(27)14-10-21/h5-14,16H,3-4,15,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,31,20,19,27,29,11,15,26,30,12,14,3,21,9,17,5,28,10,25,13,18,6,23,16,4,8,7,24,22/E:(7,8)(9,10)(11,12)(13,14)/rA:32nCCCNCCONCCCCCCCFCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29FN2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.299 |
Area: | 650.827 |
Solvation: | -4.97166 |
Coulombic: | -46.965 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 436.519 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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