Chemical ID: 6023350

CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3ccccc3
Chemical ID:
6023350
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C24H25FN2O2S/c1-18(2)27(24(29)20-7-4-3-5-8-20)17-23(28)26(16-22-9-6-14-30-22)15-19-10-12-21(25)13-11-19/h3-14,18H,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,28,27,29,20,26,30,19,11,15,12,14,21,9,17,5,2,10,25,13,18,6,23,16,8,4,7,24,22/E:(1,2)(4,5)(7,8)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCFCCCCCSCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25FN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.7241
Area:594.528
Solvation:-4.13913
Coulombic:-41.0817
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:424.532
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.41
LogP (Chemaxon):4.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue