General Information of the Compound
Compound ID
CP0202992
Compound Name
(Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl-1,3-thiazinane-3-carbodithioate
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Formula
C17H24N2S3
Molecular Weight
352.594
Canonical SMILES
CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C
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InChI
InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-
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InChIKey
CJJSYYLZHUPKBQ-SDXDJHTJSA-N
Physicochemical Property
logP
5.5204
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
15.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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ChEMBL ID
CHEMBL232730