1-[(1-benzylimidazol-2-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane

Formula:C24H28N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(1-benzylimidazol-2-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane is a drug-like molecule.

MolName	1-[(1-benzylimidazol-2-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane
MolecularFormula	C24H28N4O2S
Smiles	O=S(/C=C/c1ccccc1)(N1CCN(Cc2nccn2Cc2ccccc2)CCC1)=O
InChI	InChI=1S/C24H28N4O2S/c29-31(30,19-12-22-8-3-1-4-9-22)28-15-7-14-26(17-18-28)21-24-25-13-16-27(24)20-23-10-5-2-6-11-23/h1-6,8-13,16,19H,7,14-15,17-18,20-21H2
InChIK	LAXRXCAEZKVTMW-UHFFFAOYSA-N
TotalMolweight	436.578
Molweight	436.578
MonoisotopicMass	436.193296
CLogP	2.6378
CLogS	-1.899
H Acceptors	6
TotalSurfaceArea	339.24
Relative PSA	0.15776
PolarSurfaceArea	66.82
Druglikeness	3.3727
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	5
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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1 - 1-[(1-benzylimidazol-2-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane | 2 - 1-[(1-benzylimidazol-2-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane

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