N-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

Formula:C21H23N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide is a drug-like molecule.

MolName	N-[5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
MolecularFormula	C21H23N3O3S
Smiles	CC(C)(C)c(cc1)ccc1OCc1nnc(NC(c(cc2)ccc2OC)=O)s1
InChI	InChI=1S/C21H23N3O3S/c1-21(2,3)15-7-11-17(12-8-15)27-13-18-23-24-20(28-18)22-19(25)14-5-9-16(26-4)10-6-14/h5-12H,13H2,1-4H3,(H,22,24,25)
InChIK	BOZMEFGUECAFCA-UHFFFAOYSA-N
TotalMolweight	397.498
Molweight	397.498
MonoisotopicMass	397.146012
CLogP	4.5101
CLogS	-4.854
H Acceptors	6
H Donors	1
TotalSurfaceArea	308.66
Relative PSA	0.28122
PolarSurfaceArea	101.58
Druglikeness	0.43828
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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