Chemical ID: 6025907

CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)Nc3ccccc3OC
Chemical ID:
6025907
Name [?]:
N-[(4-fluorophenyl)methyl]-2-[isopropyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C25H28FN3O3S/c1-18(2)29(25(31)27-22-8-4-5-9-23(22)32-3)17-24(30)28(16-21-7-6-14-33-21)15-19-10-12-20(26)13-11-19/h4-14,18H,15-17H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,3,33,28,29,20,19,27,30,11,15,12,14,21,9,17,5,2,10,13,18,26,31,6,23,16,25,8,4,7,24,32,22/E:(1,2)(10,11)(12,13)/rA:33nCCCNCCONCCCCCCCFCCCCCSCONCCCCCCOC/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;s26;d27;s28;d29;d26s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28FN3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.8478
Area:684.073
Solvation:-5.25408
Coulombic:-60.6019
Bond Count [?]
All:35
Single:25
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:469.573
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.81
LogP (Chemaxon):4.37

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