Chemical ID: 4447757

c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3ccc(cn3)I
Chemical ID:
4447757
Name [?]:
5-(3-chlorophenyl)-N-[(5-iodo-2-pyridyl)thiocarbamoyl]furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3ccc(cn3)I
InChi [?]:
InChI=1/C17H11ClIN3O2S/c18-11-3-1-2-10(8-11)13-5-6-14(24-13)16(23)22-17(25)21-15-7-4-12(19)9-20-15/h1-9H,(H2,20,21,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,9,10,20,4,23,3,5,22,8,11,19,13,16,7,25,24,18,15,14,12,17/rA:25nCCCCCCClCCCCOCONCSNCCCCCNI/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11ClIN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.1996
Area:609.153
Solvation:-3.02921
Coulombic:-48.2234
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:483.711
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.26
LogP (Chemaxon):4.86

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