2-[[5-cyclopropyl-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

Formula:C24H25N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-cyclopropyl-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is a drug-like molecule.

MolName	2-[[5-cyclopropyl-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
MolecularFormula	C24H25N5O3S
Smiles	O=C(CSc1nnc(C2CC2)n1/N=C\c1cc(Oc2ccccc2)ccc1)N1CCOCC1
InChI	InChI=1S/C24H25N5O3S/c30-22(28-11-13-31-14-12-28)17-33-24-27-26-23(19-9-10-19)29(24)25-16-18-5-4-8-21(15-18)32-20-6-2-1-3-7-20/h1-8,15-16,19H,9-14,17H2
InChIK	OCJWDSFTOWIFCL-UHFFFAOYSA-N
TotalMolweight	463.561
Molweight	463.561
MonoisotopicMass	463.16781
CLogP	3.7534
CLogS	-6.869
H Acceptors	8
TotalSurfaceArea	351.62
Relative PSA	0.26847
PolarSurfaceArea	107.14
Druglikeness	6.0535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[5-cyclopropyl-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone | 2 - 2-[[5-cyclopropyl-4-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

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