N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

Formula:C26H29N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is not a drug-like molecule.

MolName	N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
MolecularFormula	C26H29N5O3S2
Smiles	O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c1c(-c2ccccc2)nc(N2CCCCC2)s1
InChI	InChI=1S/C26H29N5O3S2/c32-25(21-12-9-13-22(18-21)36(33,34)31-16-7-8-17-31)29-27-19-23-24(20-10-3-1-4-11-20)28-26(35-23)30-14-5-2-6-15-30/h1,3-4,9-13,18-19H,2,5-8,14-17H2,(H,29,32)
InChIK	SQMIIMKOKVEWNE-UHFFFAOYSA-N
TotalMolweight	523.68
Molweight	523.68
MonoisotopicMass	523.17118
CLogP	5.3571
CLogS	-6.159
H Acceptors	8
H Donors	1
TotalSurfaceArea	387.47
Relative PSA	0.26588
PolarSurfaceArea	131.59
Druglikeness	1.3568
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

Request More Details | N-[(Z)-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments