ChemDB: Chemical Search
Download
Chemical ID: 6024388
Chemical ID:
6024388
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)C
InChi [?]:
InChI=1/C20H25FN2O2S/c1-14(2)23(16(4)24)13-20(25)22(12-19-15(3)9-10-26-19)11-17-5-7-18(21)8-6-17/h5-10,14H,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:22,23,1,26,11,15,12,14,3,4,9,7,19,21,2,24,10,13,6,17,16,8,20,25,18,5/E:(1,2)(5,6)(7,8)/rA:26nCCCCSCCNCCCCCCCFCOCNCCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28638 |
Area: | 555.436 |
Solvation: | -4.59952 |
Coulombic: | -36.5777 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.489 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.96 |
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 |
---|