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5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one

Formula:C27H24N3O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one is not a drug-like molecule.
MolName5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
MolecularFormulaC27H24N3O4ClS
SmilesCC(C)(C1)OCc(cc2C(N3c(cc4)ccc4OC)=O)c1nc2N=C3SCC(c(cc1)ccc1Cl)=O
InChIInChI=1S/C27H24ClN3O4S/c1-27(2)13-22-17(14-35-27)12-21-24(29-22)30-26(36-15-23(32)16-4-6-18(28)7-5-16)31(25(21)33)19-8-10-20(34-3)11-9-19/h4-12H,13-15H2,1-3H3
InChIKSHXSRRGSQIMLJS-UHFFFAOYSA-N
TotalMolweight522.024
Molweight522.024
MonoisotopicMass521.117604
CLogP4.156
CLogS-7.23
H Acceptors7
TotalSurfaceArea374.69
Relative PSA0.23913
PolarSurfaceArea106.39
Druglikeness0.5923
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44444
Fragments1
Non HAtoms36
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms10
Symmetricatoms5
Amides1
Aromatic Nitrogens1
StereoCon

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