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

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

MolecularFormula : C27H24N6O3S

Smiles : N=C(/C1=C/c2cn(Cc3ccccc3)c3c2cccc3)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C27H24N6O3S/c28-25-21(14-19-17-32(16-18-6-2-1-3-7-18)22-9-5-4-8-20(19)22)26(35)29-27-33(25)30-23(37-27)15-24(34)31-10-12-36-13-11-31/h1-9,14,17,28H,10-13,15-16H2

InChIK : KKBNLYVGOBFIII-UHFFFAOYSA-N

TotalMolweight : 512.593

Molweight : 512.593

MonoisotopicMass : 512.163059

CLogP : 1.4572

CLogS : -2.256

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 373.43

Relative PSA : 0.28428

PolarSurfaceArea : 128.65

Druglikeness : 6.532

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.54054

Fragments : 1

Non HAtoms : 37

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :