Chemical ID: 6201943

CC1Cc2cc(cc(c2N1C(=O)C)S(=O)(=O)N3CCCCCC3)Br
Chemical ID:
6201943
Name [?]:
1-(7-azepan-1-ylsulfonyl-5-bromo-2-methyl-indolin-1-yl)ethanone
SMILES [?]:
CC1Cc2cc(cc(c2N1C(=O)C)S(=O)(=O)N3CCCCCC3)Br
InChi [?]:
InChI=1/C17H23BrN2O3S/c1-12-9-14-10-15(18)11-16(17(14)20(12)13(2)21)24(22,23)19-7-5-3-4-6-8-19/h10-12H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,20,21,19,22,18,23,3,5,7,2,11,4,6,8,9,24,17,10,12,15,16,14/E:(3,4)(5,6)(7,8)(22,23)/CRV:24.6/rA:24cCCCCCCCCCNCOCSOONCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;d11;s11;s8;d14;d14;s14;s17;s18;s19;s20;s21;s17s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23BrN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.79399
Area:503.405
Solvation:-3.79114
Coulombic:-19.399
Bond Count [?]
All:26
Single:20
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:415.346
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.83
LogP (Chemaxon):2.57

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