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C25H22N5O4ClS | Cheminformatics

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

Molecular Formula : C25H22N5O4ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(6Z)-6-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

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

MolecularFormula : C25H22N5O4ClS

Smiles : N=C(/C1=C/c(cc2)cc(Cl)c2OCc2ccccc2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C25H22ClN5O4S/c26-19-13-17(6-7-20(19)35-15-16-4-2-1-3-5-16)12-18-23(27)31-25(28-24(18)33)36-21(29-31)14-22(32)30-8-10-34-11-9-30/h1-7,12-13,27H,8-11,14-15H2

InChIK : WHMAOEBGQATEMW-UHFFFAOYSA-N

TotalMolweight : 524

Molweight : 524

MonoisotopicMass : 523.108102

CLogP : 1.8816

CLogS : -3.355

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 375.05

Relative PSA : 0.2914

PolarSurfaceArea : 132.95

Druglikeness : 6.574

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.61111

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 4

Amides : 1

BasicNitrogens : 1

StereoCon :

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


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