Chemical ID: 4151587

c1cc(ccc1c2csc(n2)NN=Cc3cc(c(c(c3)Br)O)Br)F
Chemical ID:
4151587
Name [?]:
2,6-dibromo-4-[[4-(4-fluorophenyl)thiazol-2-yl]aminoiminomethyl]phenol
SMILES [?]:
c1cc(ccc1c2csc(n2)NN=Cc3cc(c(c(c3)Br)O)Br)F
InChi [?]:
InChI=1/C16H10Br2FN3OS/c17-12-5-9(6-13(18)15(12)23)7-20-22-16-21-14(8-24-16)10-1-3-11(19)4-2-10/h1-8,23H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,20,14,8,15,6,3,17,19,7,18,10,23,21,24,13,11,12,22,9/E:(1,2)(3,4)(5,6)(12,13)(17,18)/rA:24nCCCCCCCCSCNNNCCCCCCCBrOBrF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Br2FN3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1001
Area:560.629
Solvation:-3.91561
Coulombic:-36.7371
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:471.143
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.53
LogP (Chemaxon):6.59

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