Alternatived Products of [ 1001753-24-7 ]
Product Details of [ 1001753-24-7 ]
CAS No. : 1001753-24-7
MDL No. : MFCD04722622
Formula :
C19 H18 N2 OS
Boiling Point :
-
Linear Structure Formula : -
InChI Key : WCZLNJTXHZPHLM-UHFFFAOYSA-N
M.W :
322.42
Pubchem ID : 7918451
Synonyms :
Chemical Name : N-(4-Mesitylthiazol-2-yl)benzamide
Calculated chemistry of [ 1001753-24-7 ]
Physicochemical Properties
Num. heavy atoms :
23
Num. arom. heavy atoms :
17
Fraction Csp3 :
0.16
Num. rotatable bonds :
4
Num. H-bond acceptors :
2.0
Num. H-bond donors :
1.0
Molar Refractivity :
96.66
TPSA :
70.23 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
Yes
CYP2C19 inhibitor :
Yes
CYP2C9 inhibitor :
Yes
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
Yes
Log Kp (skin permeation) :
-4.8 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.86
Log Po/w (XLOGP3) :
4.88
Log Po/w (WLOGP) :
4.8
Log Po/w (MLOGP) :
3.44
Log Po/w (SILICOS-IT) :
5.79
Consensus Log Po/w :
4.35
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-5.2
Solubility :
0.00205 mg/ml ; 0.00000636 mol/l
Class :
Moderately soluble
Log S (Ali) :
-6.09
Solubility :
0.000262 mg/ml ; 0.000000813 mol/l
Class :
Poorly soluble
Log S (SILICOS-IT) :
-7.47
Solubility :
0.000011 mg/ml ; 0.000000034 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
2.93
Safety of [ 1001753-24-7 ]