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

Formula:C18H10N4O2BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-6-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(2-chlorophenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-6-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(2-chlorophenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C18H10N4O2BrClS
Smiles	NC(N1N=C(c(cccc2)c2Cl)SC1=N1)=C(/C=C(\C=C(C=C2)Br)/C2=O)C1=O
InChI	InChI=1S/C18H10BrClN4O2S/c19-10-5-6-14(25)9(7-10)8-12-15(21)24-18(22-16(12)26)27-17(23-24)11-3-1-2-4-13(11)20/h1-8H,21H2
InChIK	BXVQNKQITSLHQS-UHFFFAOYSA-N
TotalMolweight	461.726
Molweight	461.726
MonoisotopicMass	459.939634
CLogP	3.7293
CLogS	-7.219
H Acceptors	6
H Donors	1
TotalSurfaceArea	283.4
Relative PSA	0.30138
PolarSurfaceArea	113.42
Druglikeness	0.63491
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
BasicNitrogens	1
StereoCon

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

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

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