N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Formula:C17H14N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C17H14N4Cl2S |
| Smiles | Clc(ccc(/C=N\Nc1ncnc2c1c(CCCC1)c1s2)c1)c1Cl |
| InChI | InChI=1S/C17H14Cl2N4S/c18-12-6-5-10(7-13(12)19)8-22-23-16-15-11-3-1-2-4-14(11)24-17(15)21-9-20-16/h5-9H,1-4H2,(H,20,21,23) |
| InChIK | GLZIMKNQVNSOQE-UHFFFAOYSA-N |
| TotalMolweight | 377.298 |
| Molweight | 377.298 |
| MonoisotopicMass | 376.03162 |
| CLogP | 7.1155 |
| CLogS | -7.31 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.68 |
| Relative PSA | 0.24203 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -1.3257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off