1-[(Z)-anthracen-9-ylmethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
Formula:C22H24N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-anthracen-9-ylmethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-anthracen-9-ylmethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea |
| MolecularFormula | C22H24N4OS |
| Smiles | S=C(NCCN1CCOCC1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C22H24N4OS/c28-22(23-9-10-26-11-13-27-14-12-26)25-24-16-21-19-7-3-1-5-17(19)15-18-6-2-4-8-20(18)21/h1-8,15-16H,9-14H2,(H2,23,25,28) |
| InChIK | LCUUKKYLAQYQQX-UHFFFAOYSA-N |
| TotalMolweight | 392.526 |
| Molweight | 392.526 |
| MonoisotopicMass | 392.167081 |
| CLogP | 3.9411 |
| CLogS | -5.516 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 312.21 |
| Relative PSA | 0.24336 |
| PolarSurfaceArea | 80.98 |
| Druglikeness | 4.38 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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