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Chemical ID: 6016927
Chemical ID:
6016927
Name [?]:
4-ethyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-isopropyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3)C(C)C
InChi [?]:
InChI=1/C26H29FN2O3/c1-4-20-7-11-22(12-8-20)26(31)29(19(2)3)18-25(30)28(17-24-6-5-15-32-24)16-21-9-13-23(27)14-10-21/h5-15,19H,4,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,32,2,27,26,4,8,18,22,5,7,19,21,28,16,24,12,30,3,17,6,20,25,13,9,23,15,11,14,10,29/E:(2,3)(7,8)(9,10)(11,12)(13,14)/rA:32nCCCCCCCCCONCCONCCCCCCCFCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;s25s28;s11;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29FN2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4944 |
Area: | 612.281 |
Solvation: | -4.81263 |
Coulombic: | -46.6279 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 436.519 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.62 |
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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