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Chemical ID: 4151587
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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