Menu

N-benzyl-11-oxo-3-thia-1,12,16,23-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4(9),13,15,17,19,21,23-octaene-14-carboxamide

Formula:C27H21N5O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-benzyl-11-oxo-3-thia-1,12,16,23-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4(9),13,15,17,19,21,23-octaene-14-carboxamide is a drug-like molecule.
MolNameN-benzyl-11-oxo-3-thia-1,12,16,23-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4(9),13,15,17,19,21,23-octaene-14-carboxamide
MolecularFormulaC27H21N5O2S
SmilesO=C(c(c1nc2ccccc2nc11)c(N2)n1-c(sc1c3CCCC1)c3C2=O)NCc1ccccc1
InChIInChI=1S/C27H21N5O2S/c33-25(28-14-15-8-2-1-3-9-15)21-22-24(30-18-12-6-5-11-17(18)29-22)32-23(21)31-26(34)20-16-10-4-7-13-19(16)35-27(20)32/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H,28,33)(H,31,34)
InChIKDPEUNDGHMUIMFR-UHFFFAOYSA-N
TotalMolweight479.563
Molweight479.563
MonoisotopicMass479.141595
CLogP4.7076
CLogS-10.059
H Acceptors7
H Donors2
TotalSurfaceArea344.86
Relative PSA0.28467
PolarSurfaceArea117.15
Druglikeness0.096667
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms35
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms2
Amides2
Aromatic Nitrogens3
StereoCon

Request More Details | N-benzyl-11-oxo-3-thia-1,12,16,23-tetrazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-2(10),4(9),13,15,17,19,21,23-octaene-14-carboxamide


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