Chemical ID: 4408265

c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(cc3)I
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

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Descriptor Annotations

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