Chemical ID: 7322930

CC(C#N)(C1CC1)NC(=O)CSc2ccc(cc2)Br
Chemical ID:
7322930
Name [?]:
2-(4-bromophenyl)sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)-acetamide
SMILES [?]:
CC(C#N)(C1CC1)NC(=O)CSc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H15BrN2OS/c1-14(9-16,10-2-3-10)17-13(18)8-19-12-6-4-11(15)5-7-12/h4-7,10H,2-3,8H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,7,15,17,14,18,11,3,5,16,13,9,2,19,4,8,10,12/E:(2,3)(4,5)(6,7)/rA:19cCCCNCCCNCOCSCCCCCCBr/rB:s1;s2;t3;s2;s5;s5s6;s2;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15BrN2OS
All Atoms:34
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.19952
Area:494.964
Solvation:-3.17457
Coulombic:-25.0777
Bond Count [?]
All:20
Single:15
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.252
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.91
LogP (Chemaxon):3.08

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