5-amino-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Formula:C19H12N3O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C19H12N3O2BrS
Smiles	NC(N(C(c1ccccc1)=CS1)C1=N1)=C(/C=C(\C=CC2=O)/C=C2Br)C1=O
InChI	InChI=1S/C19H12BrN3O2S/c20-14-9-11(6-7-16(14)24)8-13-17(21)23-15(12-4-2-1-3-5-12)10-26-19(23)22-18(13)25/h1-10H,21H2
InChIK	JGVXFZKINVIOFO-UHFFFAOYSA-N
TotalMolweight	426.293
Molweight	426.293
MonoisotopicMass	424.983358
CLogP	2.9837
CLogS	-5.689
H Acceptors	5
H Donors	1
TotalSurfaceArea	269.72
Relative PSA	0.27399
PolarSurfaceArea	101.06
Druglikeness	-3.9964
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; 2-halo-enone
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 5-amino-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - 5-amino-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Request More Details | 5-amino-6-[(E)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments