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C27H27N5O5S | Cheminformatics

(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula : C27H27N5O5S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName : (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

MolecularFormula : C27H27N5O5S

Smiles : N=C(/C1=C/c(cc2)ccc2OCCCOc2ccccc2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C27H27N5O5S/c28-25-22(17-19-7-9-21(10-8-19)37-14-4-13-36-20-5-2-1-3-6-20)26(34)29-27-32(25)30-23(38-27)18-24(33)31-11-15-35-16-12-31/h1-3,5-10,17,28H,4,11-16,18H2

InChIK : VLXIMKKQZIJMSQ-UHFFFAOYSA-N

TotalMolweight : 533.607

Molweight : 533.607

MonoisotopicMass : 533.17329

CLogP : 1.7369

CLogS : -2.816

H Acceptors : 10

H Donors : 1

TotalSurfaceArea : 397.15

Relative PSA : 0.30037

PolarSurfaceArea : 142.18

Druglikeness : 6.3758

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.65789

Fragments : 1

Non HAtoms : 38

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 9

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 12

Symmetricatoms : 6

Amides : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-(3-phenoxypropoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one


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