Menu

2-chloro-5-[5-[(E)-(13-oxo-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C30H19N2O4ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-chloro-5-[5-[(E)-(13-oxo-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
MolName2-chloro-5-[5-[(E)-(13-oxo-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormulaC30H19N2O4ClS2
SmilesOC(c(cc(cc1)-c2ccc(/C=C3/SC4=NC(c5c(CC6)cccc5)=C6C(c5cccs5)N4C3=O)o2)c1Cl)=O
InChIInChI=1S/C30H19ClN2O4S2/c31-22-11-8-17(14-21(22)29(35)36)23-12-9-18(37-23)15-25-28(34)33-27(24-6-3-13-38-24)20-10-7-16-4-1-2-5-19(16)26(20)32-30(33)39-25/h1-6,8-9,11-15,27H,7,10H2,(H,35,36)/t27-/m1/s1
InChIKDEDYHVBAJSONKP-HHHXNRCGSA-N
TotalMolweight571.076
Molweight571.076
MonoisotopicMass570.047475
CLogP6.704
CLogS-8.325
H Acceptors6
H Donors1
TotalSurfaceArea393.35
Relative PSA0.26999
PolarSurfaceArea136.65
Druglikeness4.3805
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.46154
Fragments1
Non HAtoms39
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms5
Amides1
AcidicOxygens1
StereoConracemate

Request More Details | 2-chloro-5-[5-[(E)-(13-oxo-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene)methyl]furan-2-yl]benzoic acid


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