1-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
Formula:C28H32N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is not a drug-like molecule.
| MolName | 1-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea |
| MolecularFormula | C28H32N4O3S |
| Smiles | S=C(NCCN1CCOCC1)N/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C28H32N4O3S/c36-28(29-13-14-32-15-17-33-18-16-32)31-30-20-25-11-12-26(34-21-23-7-3-1-4-8-23)27(19-25)35-22-24-9-5-2-6-10-24/h1-12,19-20H,13-18,21-22H2,(H2,29,31,36) |
| InChIK | DSIKRPITLGWLKU-UHFFFAOYSA-N |
| TotalMolweight | 504.653 |
| Molweight | 504.653 |
| MonoisotopicMass | 504.219511 |
| CLogP | 4.2485 |
| CLogS | -4.986 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 410.05 |
| Relative PSA | 0.23407 |
| PolarSurfaceArea | 99.44 |
| Druglikeness | 4.38 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea | 2 - 1-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off