N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide

Formula:C23H19N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide is a drug-like molecule.

MolName	N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
MolecularFormula	C23H19N5OS
Smiles	Cc1cccc2c1n1nnnc1c(CN(Cc1cccs1)C(c1ccccc1)=O)c2
InChI	InChI=1S/C23H19N5OS/c1-16-7-5-10-18-13-19(22-24-25-26-28(22)21(16)18)14-27(15-20-11-6-12-30-20)23(29)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3
InChIK	GJSKJRNXPPMDTN-UHFFFAOYSA-N
TotalMolweight	413.504
Molweight	413.504
MonoisotopicMass	413.13103
CLogP	3.9233
CLogS	-6.355
H Acceptors	6
TotalSurfaceArea	312.68
Relative PSA	0.24885
PolarSurfaceArea	91.63
Druglikeness	5.0504
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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