Chemical ID: 4245948

c1cc(ccc1n2c(=O)c3c4c(sc3nc2S)CCCC4)Br
Chemical ID:
4245948
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c(=O)c3c4c(sc3nc2S)CCCC4)Br
InChi [?]:
InChI=1/C16H13BrN2OS2/c17-9-5-7-10(8-6-9)19-15(20)13-11-3-1-2-4-12(11)22-14(13)18-16(19)21/h5-8H,1-4H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:20,19,21,18,2,4,1,5,3,6,11,12,10,14,8,16,22,15,7,9,17,13/E:(5,6)(7,8)/rA:22nCCCCCCNCOCCCSCNCSCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d10s13;s14;s7d15;s16;s12;s18;s19;s11s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrN2OS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.0784
Area:502.943
Solvation:-1.49514
Coulombic:-25.8727
Bond Count [?]
All:25
Single:18
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:393.323
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.31
LogP (Chemaxon):4.98

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