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Chemical ID: 6016979
Chemical ID:
6016979
Name [?]:
4-butyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3
InChi [?]:
InChI=1/C28H33FN2O4/c1-3-4-6-22-8-12-24(13-9-22)28(33)30(16-18-34-2)21-27(32)31(20-26-7-5-17-35-26)19-23-10-14-25(29)15-11-23/h5,7-15,17H,3-4,6,16,18-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,3,33,4,32,6,10,24,28,7,9,25,27,14,34,15,22,30,18,5,23,8,26,31,19,11,29,13,21,20,12,16,35/E:(8,9)(10,11)(12,13)(14,15)/rA:35nCCCCCCCCCCCONCCOCCCONCCCCCCCFCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s21;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33FN2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7252 |
Area: | 704.553 |
Solvation: | -5.88864 |
Coulombic: | -55.068 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 480.571 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.01 |
LogP (Chemaxon): | 4.49 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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