Chemical ID: 4304108

c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nc(cs2)c3ccc(c(c3)Cl)Cl
Chemical ID:
4304108
Name [?]:
N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-3-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nc(cs2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H9Cl2N3O3S/c17-12-5-4-9(7-13(12)18)14-8-25-16(19-14)20-15(22)10-2-1-3-11(6-10)21(23)24/h1-8H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,4,23,16,18,3,5,21,22,15,10,13,25,24,14,12,7,11,8,9,17/E:(23,24)/CRV:21.5/rA:25nCCCCCCN+OO-CONCNCCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl2N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.73525
Area:591.951
Solvation:-8.06352
Coulombic:-39.6959
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.232
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.84
LogP (Chemaxon):5.44

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