Chemical ID: 4355859

c1cc(cc(c1)Br)NC(=O)CCSc2ccc(cc2)Cl
Chemical ID:
4355859
Name [?]:
N-(3-bromophenyl)-3-(4-chlorophenyl)sulfanyl-propanamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)CCSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13BrClNOS/c16-11-2-1-3-13(10-11)18-15(19)8-9-20-14-6-4-12(17)5-7-14/h1-7,10H,8-9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,16,18,15,19,11,12,4,5,17,3,14,9,7,20,8,10,13/E:(4,5)(6,7)/rA:20nCCCCCCBrNCOCCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrClNOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.2904
Area:532.441
Solvation:-2.02066
Coulombic:-22.8893
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:5.01
LogP (Chemaxon):5.17

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