Chemical ID: 5365119

c1cc(ccc1n2c(nnn2)SCC(=O)Nc3ccc(cc3Cl)F)Cl
Chemical ID:
5365119
Name [?]:
N-(2-chloro-4-fluoro-phenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1n2c(nnn2)SCC(=O)Nc3ccc(cc3Cl)F)Cl
InChi [?]:
InChI=1/C15H10Cl2FN5OS/c16-9-1-4-11(5-2-9)23-15(20-21-22-23)25-8-14(24)19-13-6-3-10(18)7-12(13)17/h1-7H,8H2,(H,19,24)
InChi Info:
AuxInfo=1/1/N:2,4,19,1,5,18,21,13,3,20,6,22,17,14,8,25,23,24,16,9,10,11,7,15,12/E:(1,2)(4,5)/rA:25nCCCCCCNCNNNSCCONCCCCCCClFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s8;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10Cl2FN5OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3881
Area:584.203
Solvation:-3.21702
Coulombic:-31.2461
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.243
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):3.78

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