Chemical ID: 6024379

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)c3ccccc3
Chemical ID:
6024379
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-benzamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)c3ccccc3
InChi [?]:
InChI=1/C25H27FN2O2S/c1-18(2)28(25(30)21-7-5-4-6-8-21)17-24(29)27(16-23-19(3)13-14-31-23)15-20-9-11-22(26)12-10-20/h4-14,18H,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,29,28,30,27,31,11,15,12,14,3,4,9,7,19,21,2,10,26,13,6,17,24,16,8,20,18,25,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:31nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCCC/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;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27FN2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.7045
Area:598.384
Solvation:-4.25506
Coulombic:-40.7377
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:438.559
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.55
LogP (Chemaxon):4.69

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