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C25H21N4O5Br | Cheminformatics
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(5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Molecular Formula : C25H21N4O5Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName : (5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

MolecularFormula : C25H21N4O5Br

Smiles : O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c3cccc(Br)c3)=O)=O)/C2=O)c1)N1CCOCC1

InChI : InChI=1S/C25H21BrN4O5/c26-17-4-3-5-18(13-17)30-24(33)20(23(32)27-25(30)34)12-16-14-29(21-7-2-1-6-19(16)21)15-22(31)28-8-10-35-11-9-28/h1-7,12-14H,8-11,15H2,(H,27,32,34)

InChIK : AKVKHZNKSNCKCR-UHFFFAOYSA-N

TotalMolweight : 537.369

Molweight : 537.369

MonoisotopicMass : 536.069532

CLogP : 2.2217

CLogS : -4.086

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 355.02

Relative PSA : 0.24672

PolarSurfaceArea : 100.95

Druglikeness : 3.8231

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.48571

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 3

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
2 - (5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
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