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Chemical ID: 6263643
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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