Chemical ID: 4356786

c1cc(ccc1NC(=O)CCSc2ccc(cc2)Cl)Br
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

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