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Chemical ID: 4408265
Chemical ID:
4408265
Name [?]:
N-[4-(4-iodophenyl)thiazol-2-yl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(cc3)I
InChi [?]:
InChI=1/C16H11IN2OS/c17-13-8-6-11(7-9-13)14-10-21-16(18-14)19-15(20)12-4-2-1-3-5-12/h1-10H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,13,15,4,18,12,7,10,21,11,9,8,14/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCONCNCCSCCCCCCI/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11IN2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9538 |
Area: | 524.686 |
Solvation: | -2.16331 |
Coulombic: | -29.8924 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 406.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.9 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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