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2-[5-[(E)-[11-(2-chlorophenyl)-13-oxo-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:C32H21N2O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(E)-[11-(2-chlorophenyl)-13-oxo-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-[5-[(E)-[11-(2-chlorophenyl)-13-oxo-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
MolecularFormulaC32H21N2O4ClS
SmilesOC(c(cccc1)c1-c1ccc(/C=C2/SC3=NC(c4c(CC5)cccc4)=C5C(c(cccc4)c4Cl)N3C2=O)o1)=O
InChIInChI=1S/C32H21ClN2O4S/c33-25-12-6-5-11-23(25)29-24-15-13-18-7-1-2-8-20(18)28(24)34-32-35(29)30(36)27(40-32)17-19-14-16-26(39-19)21-9-3-4-10-22(21)31(37)38/h1-12,14,16-17,29H,13,15H2,(H,37,38)/t29-/m1/s1
InChIKNAMZJMNVTQSOFV-GDLZYMKVSA-N
TotalMolweight565.048
Molweight565.048
MonoisotopicMass564.091055
CLogP6.8374
CLogS-8.315
H Acceptors6
H Donors1
TotalSurfaceArea397.41
Relative PSA0.216
PolarSurfaceArea108.41
Druglikeness3.9582
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.425
Fragments1
Non HAtoms40
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Amides1
AcidicOxygens1
StereoConracemate

Request More Details | 2-[5-[(E)-[11-(2-chlorophenyl)-13-oxo-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


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