Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C25H23N5O4S | Cheminformatics

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

Molecular Formula : C25H23N5O4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

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

MolecularFormula : C25H23N5O4S

Smiles : N=C(/C1=C/c(cc2)ccc2OCc2ccccc2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C25H23N5O4S/c26-23-20(14-17-6-8-19(9-7-17)34-16-18-4-2-1-3-5-18)24(32)27-25-30(23)28-21(35-25)15-22(31)29-10-12-33-13-11-29/h1-9,14,26H,10-13,15-16H2

InChIK : OVUQIDAFGVOOGD-UHFFFAOYSA-N

TotalMolweight : 489.555

Molweight : 489.555

MonoisotopicMass : 489.147075

CLogP : 1.2756

CLogS : -2.619

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 359.63

Relative PSA : 0.3039

PolarSurfaceArea : 132.95

Druglikeness : 6.532

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.62857

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 6

Amides : 1

BasicNitrogens : 1

StereoCon :

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


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments