C20H28N4O3S3 | Cheminformatics
Menu

(14S)-5-(2,2-diethoxyethylsulfanyl)-14-ethyl-14-methyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Formula:C20H28N4O3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (14S)-5-(2,2-diethoxyethylsulfanyl)-14-ethyl-14-methyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene is a drug-like molecule.
MolName(14S)-5-(2,2-diethoxyethylsulfanyl)-14-ethyl-14-methyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
MolecularFormulaC20H28N4O3S3
SmilesCC[C@@](C)(C1)OCc2c1c(c(n1c(SC)n3)nnc1SCC(OCC)OCC)c3s2
InChIInChI=1S/C20H28N4O3S3/c1-6-20(4)9-12-13(10-27-20)30-17-15(12)16-22-23-19(24(16)18(21-17)28-5)29-11-14(25-7-2)26-8-3/h14H,6-11H2,1-5H3/t20-/m0/s1
InChIKASJOYPQFXQJKEK-FQEVSTJZSA-N
TotalMolweight468.665
Molweight468.665
MonoisotopicMass468.132351
CLogP3.4231
CLogS-7.646
H Acceptors7
TotalSurfaceArea343.58
Relative PSA0.36731
PolarSurfaceArea149.61
Druglikeness-7.0629
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms30
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms12
Sp3Atoms18
Symmetricatoms3
Aromatic Nitrogens4
BasicNitrogens1
StereoConthis enantiomer

Request More Details | (14S)-5-(2,2-diethoxyethylsulfanyl)-14-ethyl-14-methyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene


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