2-(1-adamantyl)-5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C24H23N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1-adamantyl)-5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	2-(1-adamantyl)-5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C24H23N5OS
Smiles	NC(N1N=C(C2(CC(C3)C4)CC4CC3C2)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O
InChI	InChI=1S/C24H23N5OS/c25-20-18(8-16-12-26-19-4-2-1-3-17(16)19)21(30)27-23-29(20)28-22(31-23)24-9-13-5-14(10-24)7-15(6-13)11-24/h1-4,8,12-15H,5-7,9-11,25H2
InChIK	JUPYGWPJMWNXPI-UHFFFAOYSA-N
TotalMolweight	429.547
Molweight	429.547
MonoisotopicMass	429.16233
CLogP	2.6101
CLogS	-5.959
H Acceptors	6
H Donors	1
TotalSurfaceArea	295.12
Relative PSA	0.28422
PolarSurfaceArea	108.71
Druglikeness	5.556
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	7
Small Rings	8
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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1 - 2-(1-adamantyl)-5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - 2-(1-adamantyl)-5-amino-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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