Chemical ID: 6263643

c1cc(ccc1C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4)Cl
Chemical ID:
6263643
Name [?]:
N-(4-benzo[1,3]dioxol-5-ylthiazol-2-yl)-4-chloro-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2nc(cs2)c3ccc4c(c3)OCO4)Cl
InChi [?]:
InChI=1/C17H11ClN2O3S/c18-12-4-1-10(2-5-12)16(21)20-17-19-13(8-24-17)11-3-6-14-15(7-11)23-9-22-14/h1-8H,9H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,17,20,13,22,6,15,3,12,18,19,7,10,24,11,9,8,23,21,14/E:(1,2)(4,5)/rA:24nCCCCCCCONCNCCSCCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s19;s21;s18s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11ClN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.98202
Area:553.647
Solvation:-3.85916
Coulombic:-44.6643
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.8
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):4.65

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