ChemDB: Chemical Search
Download
Chemical ID: 4356786
Chemical ID:
4356786
Name [?]:
N-(4-bromophenyl)-3-(4-chlorophenyl)sulfanyl-propanamide
SMILES [?]:
c1cc(ccc1NC(=O)CCSc2ccc(cc2)Cl)Br
InChi [?]:
InChI=1/C15H13BrClNOS/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,4,15,17,1,5,14,18,10,11,3,16,6,13,8,20,19,7,9,12/E:(1,2)(3,4)(5,6)(7,8)/rA:20nCCCCCCNCOCCSCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrClNOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.275 |
Area: | 532.726 |
Solvation: | -2.04313 |
Coulombic: | -22.8568 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.693 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.02 |
LogP (Chemaxon): | 5.17 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|