4-nitro-N-[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide

Formula:C23H15N9O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide is not a drug-like molecule.

MolName	4-nitro-N-[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
MolecularFormula	C23H15N9O4S
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1nnnn1-c1ccccc1)=O)=O
InChI	InChI=1S/C23H15N9O4S/c33-20(15-9-11-17(12-10-15)32(35)36)26-24-14-18-21(25-19-8-4-5-13-30(19)22(18)34)37-23-27-28-29-31(23)16-6-2-1-3-7-16/h1-14H,(H,26,33)
InChIK	CCNADZUIQRDXDA-UHFFFAOYSA-N
TotalMolweight	513.497
Molweight	513.497
MonoisotopicMass	513.096771
CLogP	0.8247
CLogS	-5.628
H Acceptors	13
H Donors	1
TotalSurfaceArea	373.33
Relative PSA	0.40661
PolarSurfaceArea	188.85
Druglikeness	0.20654
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	4
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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