Chemical ID: 7010688

c1ccc(c(c1)NC(=O)C2CC3CCCC(C2)C34SCCS4)Br
Chemical ID:
7010688
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC3CCCC(C2)C34SCCS4)Br
InChi [?]:
InChI=1/C18H22BrNOS2/c19-15-6-1-2-7-16(15)20-17(21)12-10-13-4-3-5-14(11-12)18(13)22-8-9-23-18/h1-2,6-7,12-14H,3-5,8-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,1,14,13,15,3,6,20,21,11,17,10,12,16,4,5,8,18,23,7,9,19,22/E:(4,5)(8,9)(10,11)(13,14)(22,23)/rA:23cCCCCCCNCOCCCCCCCCCSCCSBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s10s16;s12s16;s18;s19;s20;s18s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22BrNOS2
All Atoms:45
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:11.1037
Area:520.354
Solvation:-1.90513
Coulombic:-24.6523
Bond Count [?]
All:26
Single:22
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:412.409
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.04
LogP (Chemaxon):4.64

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