Chemical ID: 6025005

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC=C)C(=O)C
Chemical ID:
6025005
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC=C)C(=O)C
InChi [?]:
InChI=1/C20H23FN2O2S/c1-4-10-22(16(3)24)14-20(25)23(13-19-15(2)9-11-26-19)12-17-5-7-18(21)8-6-17/h4-9,11H,1,10,12-14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:23,1,26,22,11,15,12,14,3,21,4,9,7,19,2,24,10,13,6,17,16,20,8,25,18,5/E:(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;d22;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23FN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.30958
Area:566.216
Solvation:-4.84582
Coulombic:-37.4821
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.473
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.57
LogP (Chemaxon):2.95

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