Chemical ID: 3993434

c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)CCl
Chemical ID:
3993434
Name [?]:
2-chloro-N-[4-(4-phenylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)CCl
InChi [?]:
InChI=1/C17H13ClN2OS/c18-10-16(21)20-17-19-15(11-22-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,21,14,4,7,10,13,19,16,22,17,18,20,15/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCCCCCCCSCNNCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.97363
Area:535.07
Solvation:-3.40311
Coulombic:-28.0728
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.817
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.29
LogP (Chemaxon):4.99

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Descriptor Annotations

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