N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide

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

MolName	N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-N-propylbenzamide
MolecularFormula	C21H23N3O3S
Smiles	CCCN(C(c1ccc(C)cc1)=O)c1nnc(-c(cc2)cc(OC)c2OC)s1
InChI	InChI=1S/C21H23N3O3S/c1-5-12-24(20(25)15-8-6-14(2)7-9-15)21-23-22-19(28-21)16-10-11-17(26-3)18(13-16)27-4/h6-11,13H,5,12H2,1-4H3
InChIK	BZUFUVHTNNXSEJ-UHFFFAOYSA-N
TotalMolweight	397.498
Molweight	397.498
MonoisotopicMass	397.146012
CLogP	4.7891
CLogS	-4.558
H Acceptors	6
TotalSurfaceArea	310.85
Relative PSA	0.25379
PolarSurfaceArea	92.79
Druglikeness	5.7215
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57143
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	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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