ChemDB: Chemical Search
Download
Chemical ID: 6024377
Chemical ID:
6024377
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(C)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-5-6-7-22(27)26(17(2)3)16-23(28)25(15-21-18(4)12-13-29-21)14-19-8-10-20(24)11-9-19/h8-13,17H,5-7,14-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,26,2,3,4,14,18,15,17,23,24,12,20,8,27,22,13,16,21,5,9,19,11,7,6,10,25/E:(2,3)(8,9)(10,11)/rA:29nCCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;d21;s22;d23;s21s24;s22;s7;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31FN2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4182 |
Area: | 635.228 |
Solvation: | -4.46253 |
Coulombic: | -37.9796 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.569 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.38 |
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 |
---|