C24H23N4OS | Cheminformatics

4-ethyl-2-[(E)-(10-ethylphenazin-2-ylidene)methyl]-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-4-ium

Formula:C24H23N4OS Mutagenic:low Tumorigenic:low Reproductive Effective:none 4-ethyl-2-[(E)-(10-ethylphenazin-2-ylidene)methyl]-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-4-ium is a drug-like molecule.

MolName4-ethyl-2-[(E)-(10-ethylphenazin-2-ylidene)methyl]-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-4-ium
MolecularFormulaC24H23N4OS
SmilesCCN(c(cccc1)c1N=C1C=C2)C1=C/C2=C/c1nc([n+](CC)c(cc2)OC)c2s1
InChIInChI=1S/C24H23N4OS/c1-4-27-19-9-7-6-8-17(19)25-18-11-10-16(14-20(18)27)15-22-26-24-21(30-22)12-13-23(29-3)28(24)5-2/h6-15H,4-5H2,1-3H3/q+1
InChIKYNTQXLVXWXNYRK-UHFFFAOYSA-N
TotalMolweight415.54
Molweight415.54
MonoisotopicMass415.159256
CLogP-0.0401
CLogS-5.103
H Acceptors5
TotalSurfaceArea316.11
Relative PSA0.18712
PolarSurfaceArea69.84
Druglikeness3.1009
Mutageniclow
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms7
Aromatic Nitrogens2
StereoCon

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