ChemDB: Chemical Search
Download
Chemical ID: 6024805
Chemical ID:
6024805
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2-methyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)C(C)C
InChi [?]:
InChI=1/C22H29FN2O2S/c1-5-11-24(22(27)16(2)3)15-21(26)25(14-20-17(4)10-12-28-20)13-18-6-8-19(23)9-7-18/h6-10,12,16H,5,11,13-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,23,2,11,15,12,14,20,3,21,9,17,5,26,19,10,13,18,6,24,16,4,8,7,25,22/E:(2,3)(6,7)(8,9)/rA:28nCCCNCCONCCCCCCCFCCCCCSCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29FN2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5023 |
Area: | 601.384 |
Solvation: | -4.53233 |
Coulombic: | -37.9622 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 404.542 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.28 |
LogP (Chemaxon): | 4.21 |
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 |
---|