(14Z)-11-(2-chlorophenyl)-14-(naphthalen-1-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Formula:C31H21N2OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(14Z)-11-(2-chlorophenyl)-14-(naphthalen-1-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
| MolName | (14Z)-11-(2-chlorophenyl)-14-(naphthalen-1-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one |
| MolecularFormula | C31H21N2OClS |
| Smiles | O=C(/C(/S1)=C/c2cccc3ccccc23)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cccc1)c1Cl |
| InChI | InChI=1S/C31H21ClN2OS/c32-26-15-6-5-14-24(26)29-25-17-16-20-9-2-4-13-23(20)28(25)33-31-34(29)30(35)27(36-31)18-21-11-7-10-19-8-1-3-12-22(19)21/h1-15,18,29H,16-17H2/t29-/m1/s1 |
| InChIK | TYDWCZKKLHTSOS-GDLZYMKVSA-N |
| TotalMolweight | 505.04 |
| Molweight | 505.04 |
| MonoisotopicMass | 504.10631 |
| CLogP | 7.6078 |
| CLogS | -8.448 |
| H Acceptors | 3 |
| TotalSurfaceArea | 358.46 |
| Relative PSA | 0.12718 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.1151 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (14Z)-11-(2-chlorophenyl)-14-(naphthalen-1-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one | 2 - (14Z)-11-(2-chlorophenyl)-14-(naphthalen-1-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
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