N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

Formula:C27H25N5O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is not a drug-like molecule.

MolName	N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
MolecularFormula	C27H25N5O4S
Smiles	O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C27H25N5O4S/c33-27(22-10-7-13-25(18-22)37(34,35)31-14-16-36-17-15-31)29-28-19-23-20-32(24-11-5-2-6-12-24)30-26(23)21-8-3-1-4-9-21/h1-13,18-20H,14-17H2,(H,29,33)
InChIK	CMMYQELZNZPRAG-UHFFFAOYSA-N
TotalMolweight	515.592
Molweight	515.592
MonoisotopicMass	515.162725
CLogP	3.1634
CLogS	-4.44
H Acceptors	9
H Donors	1
TotalSurfaceArea	384.89
Relative PSA	0.24937
PolarSurfaceArea	114.27
Druglikeness	2.1926
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon

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