Chemical ID: 5156362

c1cc(ccc1n2c(=O)c3ccc(cc3[nH]c2=S)Cl)Cl
Chemical ID:
5156362
Name [?]:
7-chloro-3-(4-chlorophenyl)-2-thioxo-1H-quinazolin-4-one
SMILES [?]:
c1cc(ccc1n2c(=O)c3ccc(cc3[nH]c2=S)Cl)Cl
InChi [?]:
InChI=1/C14H8Cl2N2OS/c15-8-1-4-10(5-2-8)18-13(19)11-6-3-9(16)7-12(11)17-14(18)20/h1-7H,(H,17,20)
InChi Info:
AuxInfo=1/1/N:2,4,12,1,5,11,14,3,13,6,10,15,8,17,20,19,16,7,9,18/E:(1,2)(4,5)/rA:20nCCCCCCNCOCCCCCCNCSClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s7s16;d17;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8Cl2N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.5004
Area:484.745
Solvation:-1.61823
Coulombic:-31.0878
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:323.198
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.33
LogP (Chemaxon):4.57

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Descriptor Annotations

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