ChemDB: Chemical Search
Download
Chemical ID: 6014978
Chemical ID:
6014978
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-propyl-4-tert-butyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(o2)C)C(=O)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C29H35FN2O3/c1-6-17-31(28(34)23-10-12-24(13-11-23)29(3,4)5)20-27(33)32(19-26-16-7-21(2)35-26)18-22-8-14-25(30)15-9-22/h7-16H,6,17-20H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,33,34,35,2,20,11,15,27,31,28,30,12,14,19,3,9,17,5,21,10,26,29,13,18,6,24,32,16,4,8,7,25,22/E:(3,4,5)(8,9)(10,11)(12,13)(14,15)/rA:35nCCCNCCONCCCCCCCFCCCCCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s21;s4;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H35FN2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.486 |
Area: | 694.527 |
Solvation: | -4.87712 |
Coulombic: | -47.33 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 478.598 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.99 |
LogP (Chemaxon): | 5.45 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|